SCHEMBL17437183

SCHEMBL17437183

CS(=O)(=O)Nc1ccc2cncc(Cl)c2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.52
CYP17A1 P05093 6/20 0.50
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
KCNH2 Q12809 1/20 0.43
PIP4K2A P48426 1/20 0.43
PIP4K2B P78356 1/20 0.43
KIF11 P52732 1/20 0.42
IKBKB O14920 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL17437239 0.84 BRPF1 (0.45) METCYP17A1IKBKBJAK2ROCK2
SCHEMBL17436946 0.81 IKBKB (0.41) METCYP17A1IKBKBJAK2ROCK2
SCHEMBL17437173 0.80 LMNA (0.56) METCYP17A1GAAIKBKBJAK2
SCHEMBL17437244 0.78 FKBP1A (0.53) METGAAHPGDMAPK1IKBKB
SCHEMBL17437243 0.76 LMNA (0.42) GAAIKBKBJAK2ROCK2JAK1
SCHEMBL28148138 0.75 IKBKB (0.39) IKBKBJAK2ROCK2JAK1TYK2
SCHEMBL14147780 0.73 MAPK10 (0.53) METCYP17A1
SCHEMBL17437295 0.73 CCNC (0.70) METKCNH2
SCHEMBL17981304 0.72 ADRA2A (0.47) IKBKBJAK2ROCK2JAK1TYK2
SCHEMBL17437155 0.72 MET (0.44) METIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169678-A1 NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS Merck Patent GmbH (DE) 2017-05-24 EP disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
US-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 US disclosed
WO-2016009076-A1 NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 WO disclosed
WO-2016009076-A1 NOVEL NAPHTHRYIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS MERCK PATENT GMBH (DE) 2016-01-21 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-20160016951-A1 NOVEL NAPHTHYRIDINES AND ISOQUINOLINES AND THEIR USE AS CDK8/19 INHIBITORS CDK8, CDK9, CDK18 MET 4168/4885CYP17A1 2616/4885GAA 1945/4885

“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.