SCHEMBL7479638

SCHEMBL7479638

Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NCC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
ROCK1 Q13464 1/20 0.47
CAMK2B Q13554 1/20 0.47
DYRK1A Q13627 1/20 0.47
PGR P06401 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
AR P10275 1/20 0.46
PDE4A P27815 1/20 0.46
ADRA1A P35348 1/20 0.46
CNR1 P21554 1/20 0.41
NTSR1 P30989 1/20 0.41
OPRK1 P41145 1/20 0.41
PDE4D Q08499 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL12228130 0.90 PGR (0.48) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL19986220 0.88 CDK2 (0.45) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL31736768 0.85 CDK2 (0.65) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL22271630 0.85 BRD4 (0.38) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL22271629 0.85 CHRM1 (0.41) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL22271442 0.81 BRD4 (0.34) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL19986218 0.80 CDK2 (0.44) CDK2GSK3AGSK3BROCK1CAMK2B
SCHEMBL9284742 0.78 RECQL (0.43) ADORA3CNR1BRD4RECQLTSPO
SCHEMBL9281498 0.78 RECQL (0.38) CNR1BRD4RECQL
SCHEMBL19986334 0.76 BRD4 (0.40) ADORA3BRD4TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103694253-A Preparation method of thieno triazolo [4,3-A][1,4]diazepin compound Hunan huateng pharmaceutical co ltd 2014-04-02 CN claimed
US-20220185820-A1 BRD4 INHIBITOR COMPOUND IN SOLID FORM AND PREPARATION METHOD THEREFOR AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO. LTD. (CN) 2022-06-16 US disclosed
US-11312726-B2 Thienodiazepine derivatives and application thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-04-26 US disclosed
US-20210017190-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2021-01-21 US disclosed
WO-2020192637-A1 BRD4 INHIBITOR COMPOUND IN SOLID FORM AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 石药集团中奇制药技术(石家庄)有限公司 2020-10-01 WO disclosed
EP-3686204-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2020-07-29 EP disclosed
EP-3129378-B1 BROMODOMAIN-INHIBITING COMPOUNDS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING A CANCER KAINOS MEDICINE INC (KR) 2019-06-26 EP disclosed
CN-103694253-A Preparation method of thieno triazolo [4,3-A][1,4]diazepin compound Hunan huateng pharmaceutical co ltd 2014-04-02 CN disclosed
EP-0989131-B1 THIENOTRIAZOLODIAZEPINE COMPOUNDS AND MEDICINAL USES THEREOF MITSUBISHI PHARMA CORP (JP) 2002-11-13 EP disclosed
EP-0989131-A1 THIENOTRIAZOLODIAZEPINE COMPOUNDS AND MEDICINAL USES THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-03-29 EP 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 (3 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-20210017190-A1 THIENODIAZEPINE DERIVATIVES AND APPLICATION THEREOF BRD4, BRD3, BRD2 CDK2 1050/4885GSK3A 603/4885GSK3B 353/4885
US-11312726-B2 Thienodiazepine derivatives and application thereof BRD4, BRD3, BRD2 CDK2 1050/4885GSK3A 603/4885GSK3B 353/4885
US-20220185820-A1 BRD4 INHIBITOR COMPOUND IN SOLID FORM AND PREPARATION METHOD THEREFOR AND USE THEREOF BRD4, BICRA, BET1 CDK2 185/4885GSK3A 1636/4885GSK3B 1256/4885

“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.