SCHEMBL823083

SCHEMBL823083

Cc1cn(C)c2cc(F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
SLC6A4 P31645 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
ATM Q13315 1/20 0.42
GSK3B P49841 3/20 0.39
PRKCA P17252 1/20 0.39
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR6 P50406 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ICMT O60725 1/20 0.35
HASPIN Q8TF76 1/20 0.35

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
SCHEMBL5432777 0.85 DRD2 (0.43) DRD2SLC6A4KDM4EALDH1A1IDO1
SCHEMBL2112606 0.84 KDM4E (0.59) DRD2SLC6A4KDM4EALDH1A1GSK3B
SCHEMBL29712374 0.79 ATM (0.36) DRD2SLC6A4KDM4EALDH1A1IDO1
SCHEMBL22316061 0.79 SCN9A (0.44) DRD2SLC6A4KDM4EALDH1A1IDO1
SCHEMBL5985272 0.79 TP53 (0.43) KDM4EALDH1A1GSK3BPRKCATP53
SCHEMBL31302694 0.78 DRD2 (0.46) DRD2SLC6A4KDM4EALDH1A1IDO1
SCHEMBL13806399 0.78 IDO1 (0.47) DRD2SLC6A4KDM4EALDH1A1IDO1
SCHEMBL16727180 0.76 POLB (0.39) GSK3BTP53MEN1NPC1USP2
SCHEMBL15825284 0.76 GSK3B (0.39) ALDH1A1GSK3BTP53HTR6CDK2
SCHEMBL30686150 0.76 GSK3B (0.39) ALDH1A1GSK3BTP53HTR6CDK2

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
EP-3666788-A1 HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME Sumitomo Dainippon Pharma Co., Ltd. (JP) 2020-06-17 EP disclosed
EP-3080090-B1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2018-01-31 EP disclosed
WO-2017114500-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY 恩瑞生物医药科技(上海)有限公司 2017-07-06 WO disclosed
US-9682977-B2 Bicyclic heteroaryl indole analogues useful as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-06-20 US disclosed
US-20160326163-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-11-10 US disclosed
WO-2016029839-A1 (SUBSTITUTED PHENYL) (SUBSTITUTED PYRIMIDINE) AMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICATION USE 四川海思科制药有限公司 2016-03-03 WO disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-9181245-B2 Substituted pyrido[1,2-a]pyrazines and substituted pyrido[1,2-a][1,4]diazepines for the treatment of (inter alia) Alzheimer's disease Janssen Pharmaceuticals, Inc. (US) 2015-11-10 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 US disclosed
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE CELLZOME LIMITED (GB) 2015-05-21 US disclosed
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 WO disclosed
EP-2065382-A1 CGRP antagonists Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-03 EP disclosed
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-7517881-B2 Triazine derivatives, their preparation and therapeutic application thereof AVENTIS PHARMA S.A. (FR) 2009-04-14 US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 US disclosed
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMA S.A. (FR) 2008-04-24 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 (4 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 DRD2 4871/4885SLC6A4 4770/4885KDM4E 3168/4885
US-20080096891-A1 TRIAZINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION THEREOF CYP11B2, IL5, TBXA2R DRD2 1026/4885SLC6A4 2138/4885KDM4E 3600/4885
US-20150141411-A1 SUBSTITUTED 3,4-DIHYDRO-2H-PYRIDO[1,2-A]PYRAZINE-1,6-DIONE DERIVATIVES USEFUL FOR THE TREATMENT OF (INTER ALIA) ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 DRD2 2130/4885SLC6A4 4371/4885KDM4E 2640/4885
US-20160326163-A1 BICYCLIC HETEROARYL INDOLE ANALOGUES USEFUL AS ROR GAMMA MODULATORS RORA, RORB, RORC DRD2 1507/4885SLC6A4 4228/4885KDM4E 3455/4885

“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.