SCHEMBL5551802

SCHEMBL5551802

[CH](Cc1ccc2ccccc2c1)Cc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 4/20 0.58
MAPK1 P28482 1/20 0.58
CYP1A2 P05177 3/20 0.43
CYP2A6 P11509 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 1/20 0.42
MC4R P32245 3/20 0.41
MC1R Q01726 3/20 0.41
MC3R P41968 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
F2 P00734 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5830944 0.84 CYP2C19 (0.56) CYP1A2CYP2A6NPC1RAB9ACYP2C19
SCHEMBL652140 0.82 TDP1 (0.47) CYP1A2CYP2C19CYP2C9FFAR1AKR1B1
SCHEMBL7915037 0.79 MAPK1 (0.65) MC5RMAPK1CYP1A2CYP2A6CYP2C19
SCHEMBL31509450 0.79 MAPK1 (0.65) MC5RMAPK1CYP1A2CYP2A6CYP2C19
SCHEMBL932837 0.77 MC5R (0.63) MC5RMAPK1CYP1A2CYP2A6CYP2C19
SCHEMBL5778428 0.75 MC5R (0.59) MC5RMAPK1CYP1A2CYP2A6CYP2C19
SCHEMBL932836 0.75 MAPK1 (0.47) MC5RMAPK1CYP1A2NPC1RAB9A
SCHEMBL49863 0.75 CYP1A2 (0.69) MC5RMAPK1CYP1A2CYP2A6CYP2C19
SCHEMBL7415238 0.73 ALDH1A1 (0.46) MAPK1CYP1A2CYP2C19CYP2C9CYP2D6
SCHEMBL5252496 0.73 CYP2C19 (0.50) CYP1A2NPC1RAB9ACYP2C19CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2022-10-13 US disclosed
US-20220193086-A1 COMBINATION THERAPY MEI PHARMA, INC. 2022-06-23 US disclosed
US-11351176-B2 Combination therapy MEI PHARMA, INC. (US) 2022-06-07 US disclosed
US-20210000838-A1 COMBINATION THERAPY MEI PHARMA, INC. 2021-01-07 US disclosed
EP-3736291-A1 ANTI-FCRH5 ANTIBODIES Genentech, Inc. (US) 2020-11-11 EP disclosed
US-20200316080-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. 2020-10-08 US disclosed
US-20200222415-A1 COMBINATION THERAPY MEI PHARMA, INC. 2020-07-16 US disclosed
US-20200197403-A1 COMBINATION THERAPY MEI PHARMA, INC. 2020-06-25 US disclosed
US-10603324-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2020-03-31 US disclosed
US-20190201409-A1 COMBINATION THERAPY MEI PHARMA, INC. 2019-07-04 US disclosed
EP-2691384-B1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THESE COMPOUNDS FOR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA INC (US) 2016-10-26 EP disclosed
US-20150265625-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS, INC. 2015-09-24 US disclosed
US-9056852-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases MEI PHARMA, INC. (US) 2015-06-16 US disclosed
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES PATHWAY THERAPEUTICS INC. (US) 2012-10-04 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-5639781-A PREVENT REABSORPTION OF BONE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-06-17 US disclosed
EP-0398373-B1 Electrophotographic light-sensitive material FUJI PHOTO FILM CO LTD (JP) 1996-02-21 EP disclosed
US-5178983-A Binder resin FUJI PHOTO FILM CO., LTD. (JP) 1993-01-12 US disclosed
EP-0398373-A1 Electrophotographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1990-11-22 EP disclosed
EP-0363223-A2 3-Aryloxymethyl-cephalosporin derivatives, their preparation and their medical use Sankyo Company Limited (JP) 1990-04-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220193086-A1 COMBINATION THERAPY CD274, PDCD1, PDPK1 MC5R 2523/4885MAPK1 172/4885CYP1A2 4532/4885
US-20200197403-A1 COMBINATION THERAPY CD274, PDCD1, PDPK1 MC5R 2523/4885MAPK1 172/4885CYP1A2 4532/4885
US-20200316080-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 MC5R 2211/4885MAPK1 1937/4885CYP1A2 224/4885
US-20220323449-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 MC5R 2211/4885MAPK1 1937/4885CYP1A2 224/4885
US-20200222415-A1 COMBINATION THERAPY CD209, BTK, CD47 MC5R 1888/4885MAPK1 749/4885CYP1A2 4155/4885
US-11351176-B2 Combination therapy CD209, BTK, CD47 MC5R 1888/4885MAPK1 749/4885CYP1A2 4155/4885
US-20120252802-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 MC5R 2211/4885MAPK1 1937/4885CYP1A2 224/4885
US-10603324-B2 (Alpha-substituted aralkylamino and heteroarylalkylamino) pyrimidinyl and 1,3,5-triazinyl benzimidazoles, pharmaceutical compositions thereof, and their use in treating proliferative diseases CCNI, CCNK, CCNA1 MC5R 2211/4885MAPK1 1937/4885CYP1A2 224/4885
US-20150265625-A1 (ALPHA-SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNK, CCNA1 MC5R 2211/4885MAPK1 1937/4885CYP1A2 224/4885
US-20190201409-A1 COMBINATION THERAPY EZH2, BTK, BMI1 MC5R 2705/4885MAPK1 1448/4885CYP1A2 3705/4885
US-20210000838-A1 COMBINATION THERAPY BTK, SYK, PIK3C3 MC5R 2695/4885MAPK1 949/4885CYP1A2 4502/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 MC5R 4830/4885MAPK1 2930/4885CYP1A2 4360/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.