SCHEMBL15974264

SCHEMBL15974264

COc1cc2c(cc1OC)C(c1ccc(Br)cc1)=NN=C(C)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.51
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
GRIA2 P42262 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 3/20 0.46
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
Nerisopam SCHEMBL8349837 0.86 CYP1A2 (0.63) CHEK1CYP1A2CYP3A4CYP2C9CYP2C19
Nerisopam SCHEMBL1004757 0.86 CYP1A2 (0.63) CHEK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7439770 0.86 MAPT (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL6420733 0.86 MEN1 (0.52) CHEK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7410880 0.86 PDGFRB (0.49) CYP1A2CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL15985265 0.86 MAPK10 (0.52) CHEK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17020991 0.85 CHEK1 (0.50) CHEK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15985262 0.84 CYP1A2 (0.41) CHEK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10884494 0.83 CYP3A4 (0.48) CHEK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16913376 0.83 CHEK1 (0.48) CHEK1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
CN-104755473-B 2,3 benzodiazepine * 拜耳医药股份有限公司 2017-03-08 CN disclosed
US-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2016-05-12 US disclosed
US-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2016-05-12 US disclosed
US-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2016-05-12 US disclosed
EP-2958909-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-12-30 EP disclosed
WO-2015121226-A1 6-SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
WO-2015121268-A1 1-PHENYL-3H-2,3-BENZODIAZEPINES AND THEIR USE AS BROMODOMAIN INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
WO-2015121230-A1 9-SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
WO-2014202578-A1 SUBSTITUTED PHENYL-2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-24 WO disclosed
WO-2014128067-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-28 WO disclosed
WO-2014128067-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-28 WO 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 (2 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-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES BRD4, BRDT, BICRA CHEK1 501/4885CYP1A2 1412/4885CYP3A4 1651/4885
US-20150203483-A1 2,3-BENZODIAZEPINES BRD4, BET1, BRDT CHEK1 714/4885CYP1A2 859/4885CYP3A4 1931/4885

“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.