SCHEMBL1618004

SCHEMBL1618004

CC(C)c1cnc2c(cnn2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
NAMPT P43490 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
MAPK1 P28482 3/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PDE2A O00408 2/20 0.31
PDE10A Q9Y233 1/20 0.31
CACNA1H O95180 1/20 0.31
KDM5B Q9UGL1 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
Hydrochloric Acid SCHEMBL29268109 0.84 APP (0.36) APPNAMPTPI4KAPI4K2BPI4K2A
Hydrochloric Acid SCHEMBL29268105 0.84 APP (0.36) APPNAMPTPI4KAPI4K2BPI4K2A
SCHEMBL15077058 0.80 ADORA3 (0.41) KMT2AIRAK4KDM4E
SCHEMBL25512527 0.76 KDM5B (0.38) MAPK1MAPTRAB9AALDH1A1KDM5B
SCHEMBL7920028 0.75 CCR1 (0.43) APPNAMPTPI4KAPI4K2BPI4K2A
SCHEMBL29268147 0.74 MAPK1 (0.32) APPNAMPTMAPK1PDE2A
SCHEMBL29268050 0.74 MAPK1 (0.32) APPNAMPTMAPK1PDE2A
SCHEMBL29268054 0.74 MAPK1 (0.32) APPNAMPTMAPK1PDE2A
SCHEMBL18485220 0.74 APP (0.36) APPNAMPTMAPTMEN1KMT2A
SCHEMBL20758151 0.74 CACNA1H (0.38) APPNAMPTPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 US disclosed
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
US-20210236474-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-08-05 US disclosed
WO-2021126729-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-24 WO disclosed
US-10864202-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-12-15 US disclosed
US-10543198-B2 Inhibitor of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-01-28 US disclosed
US-9822119-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-21 US disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160108046-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 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 (13 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-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 APP 3898/4885NAMPT 449/4885PI4KA 395/4885
US-20210236474-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS AS LSD-1 INHIBITORS KDM1A, KDM4A, KDM1B APP 4663/4885NAMPT 3690/4885PI4KA 1047/4885
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 APP 1531/4885NAMPT 4364/4885PI4KA 1332/4885
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 APP 3930/4885NAMPT 301/4885PI4KA 3457/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP APP 3457/4885NAMPT 3919/4885PI4KA 1151/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 APP 1046/4885NAMPT 325/4885PI4KA 4327/4885
US-10864202-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A APP 4738/4885NAMPT 2050/4885PI4KA 3246/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 APP 2700/4885NAMPT 250/4885PI4KA 2049/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 APP 2700/4885NAMPT 250/4885PI4KA 2049/4885
US-20160108046-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A APP 4738/4885NAMPT 2050/4885PI4KA 3246/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 APP 1046/4885NAMPT 325/4885PI4KA 4327/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B APP 1460/4885NAMPT 29/4885PI4KA 4402/4885
US-10543198-B2 Inhibitor of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A APP 4710/4885NAMPT 2148/4885PI4KA 3220/4885

“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.