SCHEMBL10194263

SCHEMBL10194263

Cc1ccc(-c2nccn2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PKM P14618 1/20 0.51
HDAC4 P56524 2/20 0.46
BRD4 O60885 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
LPO P22079 1/20 0.41
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
EDNRA P25101 1/20 0.39
TNKS O95271 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NMT1 P30419 1/20 0.38

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
SCHEMBL9451409 0.83 HDAC4 (0.47) KDM4ENPC1RAB9APKMHDAC4
SCHEMBL9281044 0.83 HDAC4 (0.54) KDM4ENPC1RAB9AHDAC4BRD4
SCHEMBL77337 0.83 HDAC4 (0.47) KDM4ENPC1RAB9APKMHDAC4
SCHEMBL2326291 0.83 IDO1 (0.47) KDM4ENPC1RAB9APKMHDAC4
SCHEMBL10558737 0.83 NR1H2 (0.45) KDM4ENPC1RAB9AHDAC4BRD4
SCHEMBL16628325 0.83 HDAC4 (0.43) KDM4ENPC1RAB9APKMHDAC4
SCHEMBL3462133 0.83 HDAC4 (0.46) KDM4ENPC1RAB9APKMHDAC4
SCHEMBL786747 0.83 HDAC4 (0.52) KDM4ENPC1RAB9AHDAC4BRD4
SCHEMBL14960619 0.83 MAPK9 (0.44) KDM4ENPC1RAB9APKMHDAC4
SCHEMBL5921550 0.81 HDAC4 (0.51) KDM4ENPC1RAB9AHDAC4BRD4

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
EP-3489237-B1 4-AZAINDOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2020-05-13 EP disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
EP-3489237-A1 4-AZAINDOLE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2019-05-29 EP disclosed
CN-106496126-B A kind of two-photon fluorescence probe that RNA is imaged and its application in living cells 山东省科学院新材料研究所 2019-05-28 CN disclosed
WO-2018071283-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed
US-9597310-B2 Indanyloxydihydrobenzofuranylacetic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 US disclosed
US-20160244445-A1 4-Azaindole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-08-25 US disclosed
US-20160235706-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-18 US disclosed
US-20150094328-A1 4-Azaindole Derivatives EISAI R&D MAN CO LTD (JP) 2015-04-02 US disclosed
US-20140163025-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-12 US disclosed
US-8173699-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20100190767-A1 Compounds for the treatment of inflammatory diseases ANDERSKEWITZ RALF 2010-07-29 US disclosed
US-7745447-B2 Substituted thieno[3,2-D]pyrimidines as non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-29 US disclosed
US-7745447-B2 Substituted thieno[3,2-D]pyrimidines as non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-29 US disclosed
WO-2007050723-A1 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
US-20070093508-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093508-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 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 (8 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-20100190767-A1 Compounds for the treatment of inflammatory diseases MALT1, IL1B, RORC KDM4E 4840/4885NPC1 680/4885RAB9A 1909/4885
US-20200048258-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C KDM4E 11/4885NPC1 3937/4885RAB9A 3665/4885
US-20160244445-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 KDM4E 264/4885NPC1 1577/4885RAB9A 1209/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM4E 11/4885NPC1 3937/4885RAB9A 3665/4885
US-20070093508-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R KDM4E 2607/4885NPC1 559/4885RAB9A 2509/4885
US-20140163025-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, GPBAR1, GPR52 KDM4E 3625/4885NPC1 1181/4885RAB9A 2309/4885
US-20150094328-A1 4-Azaindole Derivatives CHRM1, CHRM4, CHRM2 KDM4E 264/4885NPC1 1577/4885RAB9A 1209/4885
US-20160235706-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, GPBAR1, GPR52 KDM4E 3625/4885NPC1 1181/4885RAB9A 2309/4885

“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.