SCHEMBL17437243

SCHEMBL17437243

CS(=O)(=O)c1ccc2cncc(Cl)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
PTGS2 P35354 6/20 0.40
LRRK2 Q5S007 2/20 0.40
PTGS1 P23219 2/20 0.39
IKBKB O14920 3/20 0.38
JAK2 O60674 3/20 0.38
ROCK2 O75116 3/20 0.38
JAK3 P52333 3/20 0.38
ROCK1 Q13464 3/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
IDO1 P14902 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
STAT5A P42229 1/20 0.37
GRK2 P25098 1/20 0.37
GLP1R P43220 1/20 0.36

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
SCHEMBL17437131 0.85 CCNC (0.39) CCNCCDK8PTGS2PTGS1IKBKB
SCHEMBL17437011 0.83 CCNC (0.52) LMNACCNCCDK8MAPT
SCHEMBL29192548 0.80 CCNC (0.40) CCNCCDK8PTGS2ROCK2ROCK1
SCHEMBL29192477 0.80 G6PD (0.45) CCNCCDK8PTGS2ROCK2ROCK1
SCHEMBL30032674 0.80 G6PD (0.45) CCNCCDK8PTGS2ROCK2ROCK1
SCHEMBL17437183 0.76 MET (0.52) IKBKBJAK2ROCK2JAK3ROCK1
SCHEMBL17437155 0.75 MET (0.44) LMNAIKBKBALDH1A1MAPT
SCHEMBL15047853 0.73 LMNA (0.47) LMNAALDH1A1MAPT
SCHEMBL29192439 0.72 CDK5 (0.39) CCNCCDK8ROCK2ROCK1
SCHEMBL17437066 0.71 EGFR (0.46) LMNAPTGS1GAAALDH1A1MAPT

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 LMNA 1389/4885CCNC 31/4885CDK8 1/4885

“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.