SCHEMBL2303340

SCHEMBL2303340

NC(=O)c1ccccc1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
GRIK1 P39086 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BRD4 O60885 1/20 0.43
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
METAP2 P50579 1/20 0.41
GAA P10253 2/20 0.41
BCAT2 O15382 1/20 0.40
CCR5 P51681 1/20 0.39
FABP4 P15090 1/20 0.39
F2RL1 P55085 1/20 0.39
NPC1 O15118 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
SCHEMBL9996739 0.93 TP53 (0.47) KDM4EGRIK1ALDH1A1MAPTHPGD
SCHEMBL29818185 0.93 TP53 (0.43) KDM4EGRIK1ALDH1A1MAPTHPGD
SCHEMBL4707109 0.91 TP53 (0.49) BRD4MEN1KMT2ATP53FABP4
SCHEMBL22123312 0.89 TP53 (0.40) KDM4EGRIK1ALDH1A1MAPTHPGD
SCHEMBL15389531 0.89 KDM4E (0.42) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL3330911 0.89 AURKA (0.49) GRIK1
SCHEMBL30002493 0.86 PARP2 (0.46) MAPTBRD4JAK1JAK3GAA
SCHEMBL28871905 0.84 MEN1 (0.39) KDM4EGRIK1ALDH1A1MAPTHPGD
SCHEMBL14722326 0.84 KDM4E (0.40) KDM4EGRIK1ALDH1A1MAPTHPGD
SCHEMBL547637 0.83 GRIK1 (0.58) KDM4EGRIK1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431436-B Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors 内尔维阿诺医学科学有限公司 2017-11-28 CN claimed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP claimed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO claimed
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 US disclosed
WO-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed
CN-105793261-B pyrazolopyrimidine compounds 大学健康网络 2018-11-30 CN disclosed
CN-104447727-B Substituted amino-metadiazine compound and its application method and purposes 广东东阳光药业有限公司 2018-04-27 CN disclosed
CN-105431436-B Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors 内尔维阿诺医学科学有限公司 2017-11-28 CN disclosed
CN-105008364-B substituted Imidazopyridazines 拜耳制药股份公司 2017-11-07 CN disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
EP-1720544-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2006-11-15 EP disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005089747-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-09-29 WO disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 KDM4E 3185/4885GRIK1 266/4885ALDH1A1 3227/4885
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA KDM4E 899/4885GRIK1 2311/4885ALDH1A1 1029/4885

“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.