SCHEMBL1356005

SCHEMBL1356005

CS(=O)(=O)N(c1ccc(Nc2ncc3cnn(-c4cccc5[nH]ccc45)c3n2)cc1)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 12/20 0.43
AURKA O14965 11/20 0.43
CCNB1 P14635 11/20 0.43
PLK2 Q9NYY3 6/20 0.39
KDR P35968 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FGFR4 P22455 1/20 0.35
WEE1 P30291 1/20 0.35
NEK2 P51955 1/20 0.35
NEK5 Q6P3R8 1/20 0.35
NEK1 Q96PY6 1/20 0.35

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
SCHEMBL3573049 0.86 CDK1 (0.46) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL1356204 0.81 PLK2 (0.45) CDK1AURKACCNB1PLK2NEK2
SCHEMBL1355521 0.81 AURKA (0.46) CDK1AURKACCNB1PLK2CYP3A4
SCHEMBL3581811 0.81 CDK1 (0.44) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL1355558 0.80 CDK1 (0.48) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL1355345 0.79 EGFR (0.51) CDK1AURKACCNB1FGFR4
SCHEMBL3585804 0.78 CDK1 (0.46) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL1355910 0.76 FGFR4 (0.50) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL3862278 0.75 AURKA (0.48) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL3591861 0.75 AURKA (0.54) CDK1AURKACCNB1CYP3A4CYP2C9

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
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US 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 (3 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK1 3/4885AURKA 9/4885CCNB1 12/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B CDK1 1/4885AURKA 10/4885CCNB1 17/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK1 3/4885AURKA 9/4885CCNB1 12/4885

“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.