SCHEMBL473574

SCHEMBL473574

CS(=O)(=O)c1nccc(-n2nnc3ccccc32)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.56
MAPK9 P45984 8/20 0.56
CCNE1 P24864 7/20 0.56
CDK2 P24941 7/20 0.56
MAPK10 P53779 7/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
CCND1 P24385 1/20 0.56
RAB9A P51151 1/20 0.52
CYP2C9 P11712 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
KCNMA1 Q12791 1/20 0.39
SLC9A1 P19634 3/20 0.38
KEAP1 Q14145 1/20 0.38
CHEK1 O14757 1/20 0.38
ATR Q13535 1/20 0.38
PDCD1 Q15116 1/20 0.38
ATRIP Q8WXE1 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
SCHEMBL10103846 0.79 RAB9A (0.59) MAPK8MAPK9CCNE1CDK2MAPK10
SCHEMBL7022083 0.77 ROCK1 (0.59)
SCHEMBL3823223 0.77 CDK1 (0.53) MAPK8MAPK9CCNE1CDK2MAPK10
SCHEMBL473490 0.76 RAB9A (0.59) MAPK8MAPK9CCNE1CDK2MAPK10
SCHEMBL30108013 0.75 HPGD (0.53) MAPK8MAPK9CCNE1CDK2MAPK10
SCHEMBL473446 0.75 RAB9A (0.55) MAPK8MAPK9CCNE1CDK2MAPK10
SCHEMBL473479 0.74 MAPK8 (0.83) MAPK8MAPK9CCNE1CDK2MAPK10
SCHEMBL14837549 0.74 MAPK8 (0.44) MAPK8MAPK9CCNE1CDK2MAPK10
SCHEMBL10104143 0.73 RAB9A (0.52) MAPK8MAPK9CCNE1CDK2MAPK10
SCHEMBL473456 0.73 MAPK8 (0.53) MAPK8MAPK9CCNE1CDK2MAPK10

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
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
CN-101511359-A Benzotriazole kinase modulators HOFFMANN LA ROCHE (CH) 2009-08-19 CN disclosed
EP-2066319-A1 BENZOTRIAZOLE KINASE MODULATORS F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 US disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 US disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 US disclosed
WO-2008028860-A1 BENZOTRIAZOLE KINASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 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-20080103142-A1 Benzotriazole kinase modulators CDK1, CDK3, MAPK1 MAPK8 61/4885MAPK9 65/4885CCNE1 102/4885

“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.