SCHEMBL15569871

SCHEMBL15569871

NC(=O)N1C=Cc2ccccc2C=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
SCN4A P35499 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
P2RX4 Q99571 5/20 0.35
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
PARP1 P09874 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4971333 0.81 LMNA (0.32) TSHRLMNAMAPK1SCN4ASCN5A
Hydrochloric Acid SCHEMBL5442303 0.76
SCHEMBL4753850 0.74 TSHR (0.50) TSHRLMNAMAPK1SCN4ASCN5A
SCHEMBL4973582 0.74
SCHEMBL5005100 0.70
SCHEMBL1650756 0.64 LMNA (0.37) TSHRLMNAMAPK1SCN4ASCN5A
SCHEMBL5739502 0.64 ATM (0.30)
SCHEMBL2120774 0.63 P2RX4 (0.39) TSHRLMNAMAPK1SCN4ASCN5A
SCHEMBL15570101 0.62 NOTUM (0.36) TSHRLMNAMAPK1SCN4ASCN5A
SCHEMBL305168 0.62 HDAC3 (0.43) TSHRLMNAMAPK1SCN4ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3304080-A1 METHOD FOR STRATIFICATION OF MELANOMA PATIENTS BY DETERMINATION OF OXYGEN CONSUMPTION, PPARGC1A, PPARGC1B AND MITF LEVELS Bayer Pharma Aktiengesellschaft (DE) 2018-04-11 EP claimed
WO-2017005711-A1 PHOSPHOROUS-AND SULFUR-SUBSTITUTED BENZODIAZEPINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-12 WO claimed
WO-2016189042-A1 METHOD FOR STRATIFICATION OF MELANOMA PATIENTS BY DETERMINATION OF OXYGEN CONSUMPTION, PPARGC1A, PPARGC1B AND MITF LEVELS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-01 WO claimed
EP-3010909-A1 SUBSTITUTED PHENYL-2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2016-04-27 EP claimed
EP-2958909-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-12-30 EP claimed
WO-2015121226-A1 6-SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO claimed
WO-2015121227-A1 6,9-DISUBSTITUTED 1-PHENYL-3H-2,3-BENZODIAZEPINES AND THEIR USE AS BROMODOMAIN INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO claimed
EP-2885286-A1 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-06-24 EP claimed
WO-2014202578-A1 SUBSTITUTED PHENYL-2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-24 WO claimed
WO-2014128067-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-28 WO claimed
WO-2014026997-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-20 WO claimed
US-20180164317-A1 METHOD FOR STRATIFICATION OF MELANOMA PATIENTS BY DETERMINATION OF OXYGEN CONSUMPTION, PPARGC1A, PPARGC1B AND MITF LEVELS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-06-14 US disclosed
EP-3304080-A1 METHOD FOR STRATIFICATION OF MELANOMA PATIENTS BY DETERMINATION OF OXYGEN CONSUMPTION, PPARGC1A, PPARGC1B AND MITF LEVELS Bayer Pharma Aktiengesellschaft (DE) 2018-04-11 EP disclosed
WO-2017005711-A1 PHOSPHOROUS-AND SULFUR-SUBSTITUTED BENZODIAZEPINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-01-12 WO disclosed
WO-2016189042-A1 METHOD FOR STRATIFICATION OF MELANOMA PATIENTS BY DETERMINATION OF OXYGEN CONSUMPTION, PPARGC1A, PPARGC1B AND MITF LEVELS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-01 WO disclosed
WO-2015121226-A1 6-SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
EP-2885286-A1 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-06-24 EP 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-2014026997-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-20 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 (1 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-20180164317-A1 METHOD FOR STRATIFICATION OF MELANOMA PATIENTS BY DETERMINATION OF OXYGEN CONSUMPTION, PPARGC1A, PPARGC1B AND MITF LEVELS MITF, TFAM, POLRMT TSHR 757/4885LMNA 3244/4885MAPK1 2361/4885

“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.