SCHEMBL456927

SCHEMBL456927

CN(C)c1ccc(Cl)nn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 3/20 0.42
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NCF1 P14598 1/20 0.35
EDNRA P25101 1/20 0.33
CYP1A2 P05177 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL31447802 1.00 NPC1 (0.47) NPC1RAB9AUSP2TP53PKM
SCHEMBL4278637 0.84 NPC1 (0.58) NPC1RAB9AUSP2TP53PKM
SCHEMBL2218343 0.81 ALDH1A1 (0.40) NPC1RAB9AUSP2TP53PKM
SCHEMBL5644795 0.78 ALDH1A1 (0.33) NPC1RAB9AUSP2TP53PKM
SCHEMBL5646006 0.75 KMT2A (0.44) SMN1; SMN2GAAALDH1A1MAPTKMT2A
SCHEMBL750364 0.74 LMNA (0.36) NPC1RAB9AUSP2TP53PKM
SCHEMBL111337 0.74
SCHEMBL29367162 0.74
SCHEMBL7992483 0.73 POLB (0.47) ALDH1A1POLB
SCHEMBL10968960 0.73 JAK2 (0.31) GAAALDH1A1MAPTKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713096-A1 CDK INHIBITOR COMPOUNDS Aleksia Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238574-A1 CDK INHIBITOR COMPOUNDS ALEKSIA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
US-20220402948-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-12-22 US disclosed
CN-110494431-B Azacyclo derivative, preparation method and medical application thereof 苏州浦合医药科技有限公司 2022-11-04 CN disclosed
WO-2021231400-A1 BIS-ARYL ETHERS CONTAINING N-ACYL AZETIDINE AS EGFR/HER2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2021-11-18 WO disclosed
WO-2021057882-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR 贝达药业股份有限公司 2021-04-01 WO disclosed
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-02 US disclosed
EP-2300465-B1 IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTEX THERAPEUTICS LTD (GB) 2019-04-17 EP disclosed
WO-2019062657-A1 NITROGEN HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 北京越之康泰生物医药科技有限公司 2019-04-04 WO disclosed
US-20190077790-A1 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2019-03-14 US disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
US-20100261727-A1 2-ARYLBENZOTHIOPHENE DERIVATIVES OR PHARCEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARCEUTICAL COMPOSITION FOR THE DIAGNOSIS OR TREATMENT OF DEGENERATIVE BRAIN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT Industry-University Cooperation Foundation Sogang University 2010-10-14 US disclosed
US-20100261727-A1 2-ARYLBENZOTHIOPHENE DERIVATIVES OR PHARCEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARCEUTICAL COMPOSITION FOR THE DIAGNOSIS OR TREATMENT OF DEGENERATIVE BRAIN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT Industry-University Cooperation Foundation Sogang University 2010-10-14 US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO disclosed
US-4740505-A INSECTICIDES, MITILIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-26 US disclosed
US-4002753-A ANTIHYPERTENSIVE AGENTS I.S.F. S.P.A. (IT) 1977-01-11 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 (6 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-20190077790-A1 4-CYANO-BENZYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS AOC3, AOC2, CBR3 NPC1 1231/4885RAB9A 4378/4885USP2 1919/4885
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, AOC2, CBR3 NPC1 1231/4885RAB9A 4378/4885USP2 1919/4885
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA NPC1 4045/4885RAB9A 1177/4885USP2 3231/4885
US-20100261727-A1 2-ARYLBENZOTHIOPHENE DERIVATIVES OR PHARCEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARCEUTICAL COMPOSITION FOR THE DIAGNOSIS OR TREATMENT OF DEGENERATIVE BRAIN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT APP, PSEN1, PSEN2 NPC1 1589/4885RAB9A 4153/4885USP2 4304/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NPC1 108/4885RAB9A 1700/4885USP2 4099/4885
US-20220402948-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR EGFR, ERBB2, ERBB3 NPC1 401/4885RAB9A 1918/4885USP2 4098/4885

“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.