SCHEMBL2736333

SCHEMBL2736333

CNc1cccc2ncccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.52
TP53 P04637 2/20 0.52
ALOX15 P16050 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
S1PR4 O95977 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
S1PR1 P21453 1/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.51
OPRK1 P41145 1/20 0.51
TLR9 Q9NR96 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL4500702 0.86 HTR1A (0.63) HTTSMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL20027756 0.85 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL29043209 0.84 HTR1A (0.61) HTTSMN1; SMN2HTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL1208911 0.84 HTR1A (0.61) HTTSMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL2914257 0.80 HTT (0.60) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL30504562 0.80 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL27655422 0.80 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2478157 0.80 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL29260245 0.80 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5364135 0.79 MEN1 (0.57) MEN1KMT2AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-118221644-A Pyrrolidine derivative, composition and application thereof 上海京新生物医药有限公司 2024-06-21 CN disclosed
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
WO-2024081714-A2 GroEL INHIBITORS FOR ANTIBIOTIC APPLICATIONS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-04-18 WO disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
WO-2023091644-A2 HSD17B13-RELATED DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-05-25 WO disclosed
WO-2022099159-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2022-05-12 WO disclosed
WO-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021226458-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
WO-2021226517-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 WO disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 US disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (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 (2 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-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH MEN1 4217/4885KMT2A 2429/4885ALDH1A1 4365/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS MEN1 138/4885KMT2A 850/4885ALDH1A1 4178/4885

“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.