SCHEMBL15568360

SCHEMBL15568360

O=c1[nH]c(-c2ccc(Br)cc2)cc2ccncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
CDC7 O00311 1/20 0.43
TNKS O95271 5/20 0.41
TNKS2 Q9H2K2 4/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 5/20 0.39
CSNK2A1 P68400 1/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL15568338 0.88 CCNB2 (0.44) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL15775130 0.85 KDM4C (0.52) CDC7TNKSGAAMAPTPARP1
SCHEMBL15567849 0.80 TNKS (0.47) TNKSTNKS2PARP1PARP2KDM4C
SCHEMBL4774571 0.78 TNKS (0.61) TNKSTNKS2CYP1A1CYP1B1MEN1
SCHEMBL15568105 0.78 PDE10A (0.51) TNKSMAPTKDM4C
SCHEMBL24746791 0.75 CDC7 (0.45) CDK1GSK3AGSK3BCDC7TNKS
SCHEMBL30064139 0.75 CDC7 (0.45) CDK1GSK3AGSK3BCDC7TNKS
SCHEMBL21565912 0.75 CYP19A1 (0.50) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL14867268 0.75 KDM4E (0.48) TNKSTNKS2CYP1A1CYP1B1MEN1
SCHEMBL15616256 0.75 PARP1 (0.47) TNKSTNKS2CYP1A1CYP1B1GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882714-B1 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
EP-2882714-B1 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2019-11-13 EP disclosed
US-9376433-B2 (AZA-)isoquinolinone derivatives MERCK PATENT GMBH (DE) 2016-06-28 US disclosed
US-9376433-B2 (AZA-)isoquinolinone derivatives MERCK PATENT GMBH (DE) 2016-06-28 US disclosed
US-9376433-B2 (AZA-)isoquinolinone derivatives MERCK PATENT GMBH (DE) 2016-06-28 US disclosed
US-20150210686-A1 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-30 US disclosed
US-20150210686-A1 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-30 US disclosed
US-20150210686-A1 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-30 US disclosed
EP-2882714-A2 (AZA-)ISOQUINOLINONE DERIVATIVES Merck Patent GmbH (DE) 2015-06-17 EP disclosed
WO-2014023390-A2 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-02-13 WO disclosed
WO-2014023390-A2 (AZA-)ISOQUINOLINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-02-13 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-20150210686-A1 (AZA-)ISOQUINOLINONE DERIVATIVES TANK, TNKS, TDP1 CCNB2 2260/4885CDK1 140/4885CCNB1 1488/4885

“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.