SCHEMBL5018922

SCHEMBL5018922

CC(C)Cc1ccc2nccnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ECE2 P0DPD6 1/20 0.41
SHMT2 P34897 1/20 0.41
KDM4E B2RXH2 4/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
OGA O60502 3/20 0.37
HDAC3 O15379 1/20 0.36
TUBB4A P04350 1/20 0.36

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
SCHEMBL6219997 0.82 ECE2 (0.41) ALDH1A1NPC1RAB9AECE2SHMT2
SCHEMBL6219995 0.82 ECE2 (0.41) ALDH1A1NPC1RAB9AECE2SHMT2
SCHEMBL6221082 0.80 TP53 (0.47) ALDH1A1NPC1RAB9AECE2SHMT2
SCHEMBL6221077 0.80 TP53 (0.47) ALDH1A1NPC1RAB9AECE2SHMT2
SCHEMBL113636 0.78 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL29873370 0.78 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKDM4ETP53
SCHEMBL26664503 0.78 GABRA1 (0.47) GABRA1GABRB2KDM4EMAPK1SMN1; SMN2
SCHEMBL13034790 0.78 ALDH1A1 (0.53) GABRA1GABRB2ALDH1A1NPC1RAB9A
SCHEMBL21037210 0.78 GABRA1 (0.40) GABRA1GABRB2ALDH1A1RAB9AKDM4E
SCHEMBL19251597 0.78 OGA (0.39) ALDH1A1KDM4ETP53MAPK1OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273136-A1 NITROGEN-CONTAINING BRIDGED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-11-08 EP disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-11524959-B1 Indole and azaindole inhibitors of pad enzymes BRISTOL-MYERS SQUIBB COMPANY (US) 2022-12-13 US disclosed
WO-2022166810-A1 FUSED AZATRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-08-11 WO disclosed
US-20220218703-A1 FGFR INHIBITORS FOR THE TREATMENT OF CANCER BRIDGENE BIOSCIENCES, INC. 2022-07-14 US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 US disclosed
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED 2021-11-11 US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-8999966-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP 2013-09-12 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US 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 (11 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-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS BCL2, BCL2L2, BCL2L1 GABRA1 2551/4885GABRB2 876/4885ALDH1A1 3922/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB GABRA1 2077/4885GABRB2 849/4885ALDH1A1 550/4885
US-20220218703-A1 FGFR INHIBITORS FOR THE TREATMENT OF CANCER FGFR4, FGFR2, FGFR1 GABRA1 2755/4885GABRB2 1941/4885ALDH1A1 1925/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 GABRA1 2667/4885GABRB2 1652/4885ALDH1A1 4062/4885
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 GABRA1 3547/4885GABRB2 3389/4885ALDH1A1 741/4885
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 GABRA1 2624/4885GABRB2 1885/4885ALDH1A1 152/4885
US-11524959-B1 Indole and azaindole inhibitors of pad enzymes PADI4, PADI1, PADI2 GABRA1 3803/4885GABRB2 3288/4885ALDH1A1 101/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 GABRA1 2667/4885GABRB2 1652/4885ALDH1A1 4062/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB GABRA1 2077/4885GABRB2 849/4885ALDH1A1 550/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 GABRA1 1707/4885GABRB2 1124/4885ALDH1A1 86/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 GABRA1 3345/4885GABRB2 2539/4885ALDH1A1 104/4885

“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.