SCHEMBL17437239

SCHEMBL17437239

CC(C)S(=O)(=O)Nc1ccc2cncc(Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.45
IKBKB O14920 7/20 0.40
ROCK2 O75116 7/20 0.40
JAK3 P52333 7/20 0.40
ROCK1 Q13464 7/20 0.40
JAK2 O60674 6/20 0.40
JAK1 P23458 6/20 0.40
TYK2 P29597 6/20 0.40
STAT5A P42229 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PRKCD Q05655 1/20 0.39
MET P08581 3/20 0.38
BRD4 O60885 1/20 0.37
CYP17A1 P05093 5/20 0.37
PDE5A O76074 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL17437183 0.84 MET (0.52) IKBKBROCK2JAK3ROCK1JAK2
SCHEMBL17436946 0.77 IKBKB (0.41) IKBKBROCK2JAK3ROCK1JAK2
SCHEMBL17437173 0.77 LMNA (0.56) IKBKBROCK2JAK3ROCK1JAK2
SCHEMBL17437244 0.75 FKBP1A (0.53) IKBKBROCK2JAK3ROCK1JAK2
SCHEMBL17437305 0.75 CCNC (0.66) MET
SCHEMBL12650084 0.74 CDK1 (0.50) BRPF1EPHX2NR1H4BRD4MEN1
SCHEMBL28148138 0.72 IKBKB (0.39) IKBKBROCK2JAK3ROCK1JAK2
SCHEMBL12846480 0.70 HSD17B3 (0.54) BRPF1EPHX2NR1H4BRD4MEN1
SCHEMBL4094379 0.70 ALDH1A1 (0.50) BRPF1EPHX2NR1H4BRD4MEN1
SCHEMBL20290535 0.70 TSHR (0.51) BRPF1EPHX2NR1H4MEN1KMT2A

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 5 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

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 BRPF1 2058/4885IKBKB 254/4885ROCK2 1068/4885

“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.