SCHEMBL6983718

SCHEMBL6983718

CC(C)(C)c1cccc2cn[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.53
TRPA1 O75762 4/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
LTK P29376 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
FLT3 P36888 1/20 0.46
CSNK1A1 P48729 1/20 0.46
PRKX P51817 1/20 0.46

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
SCHEMBL14738579 0.85 NOS1 (0.50) NOS1TRPA1MAPTHSD17B10TDP1
SCHEMBL11577370 0.82 NOS1 (0.60) NOS1TRPA1MAPTHSD17B10TDP1
SCHEMBL22430426 0.82 NOS1 (0.47) NOS1TRPA1MAPTHSD17B10TDP1
SCHEMBL4477406 0.81 NOS1 (0.53) NOS1TRPA1MAPTHSD17B10TDP1
SCHEMBL20078879 0.80 NOS1 (0.45) NOS1TRPA1MAPTHSD17B10TDP1
SCHEMBL22793062 0.76 MAPT (0.44) NOS1TRPA1MAPTHSD17B10TDP1
SCHEMBL11411462 0.75 ALDH1A1 (0.47) NOS1TRPA1MAPTHSD17B10TDP1
Methylene Chloride SCHEMBL27730596 0.75 NOS1 (0.51) NOS1TRPA1MAPTHSD17B10TDP1
SCHEMBL26011151 0.75 NOS1 (0.35) NOS1TRPA1MAPTHSD17B10TDP1
SCHEMBL20129740 0.74 TRPA1 (0.37) NOS1TRPA1MAPTPTK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 US disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 US disclosed
US-20130079348-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-03-28 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20080182849-A1 Certain Heterocyclic Substituted Imidazo[1,2-A]Pyrazin-8-Ylamines And Methods Of Inhibition Of Bruton's Tyrosine Kinase By Such Compounds CURRIE KEVIN S 2008-07-31 US disclosed
US-7393848-B2 Certain heterocyclic substituted imidazo[1,2-A]pyrazin-8-ylamines and methods of inhibition of Bruton's tyrosine kinase by such compounds CGI PHARMACEUTICALS, INC. (US) 2008-07-01 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 (14 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 NOS1 3276/4885TRPA1 3692/4885MAPT 2358/4885
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 NOS1 3358/4885TRPA1 4539/4885MAPT 170/4885
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR NOS1 1185/4885TRPA1 245/4885MAPT 4303/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF NOS1 1698/4885TRPA1 1467/4885MAPT 480/4885
US-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 NOS1 1878/4885TRPA1 4334/4885MAPT 1547/4885
US-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD NOS1 1834/4885TRPA1 4420/4885MAPT 1618/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NOS1 4325/4885TRPA1 4387/4885MAPT 279/4885
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE KRAS, NRAS, RHOA NOS1 3643/4885TRPA1 3919/4885MAPT 3647/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS NOS1 4737/4885TRPA1 1442/4885MAPT 4139/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD NOS1 1834/4885TRPA1 4420/4885MAPT 1618/4885
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 NOS1 1753/4885TRPA1 4692/4885MAPT 4708/4885
US-20080182849-A1 Certain Heterocyclic Substituted Imidazo[1,2-A]Pyrazin-8-Ylamines And Methods Of Inhibition Of Bruton's Tyrosine Kinase By Such Compounds BTK, SYK, LYN NOS1 2165/4885TRPA1 1103/4885MAPT 4836/4885
US-20130079348-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NOS1 3382/4885TRPA1 75/4885MAPT 1478/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP NOS1 3648/4885TRPA1 1604/4885MAPT 2516/4885

“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.