SCHEMBL1355952

SCHEMBL1355952

CS(=O)(=O)N(CC(O)CO)c1ccc(Nc2ncc3cnn(-c4ccc(NC(=O)CN5CCCC5)nc4)c3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 16/20 0.49
AURKA O14965 15/20 0.49
CCNB1 P14635 15/20 0.49
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CDK4 P11802 2/20 0.36
CCND3 P30281 2/20 0.36
ALK Q9UM73 1/20 0.35
CCND1 P24385 1/20 0.35
CCND2 P30279 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
SCHEMBL1356179 0.94 AURKA (0.51) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL1355856 0.92 CDK1 (0.40) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL1354384 0.89 AURKA (0.50) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL1356865 0.86 AURKA (0.43) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL1355951 0.83 CDK1 (0.40) CDK1AURKACCNB1CDK4CCND3
SCHEMBL1355915 0.81 CDK1 (0.36) CDK1AURKACCNB1CDK4CCND3
SCHEMBL1355562 0.80 AURKA (0.47) CDK1AURKACCNB1CYP3A4CYP2C9
SCHEMBL1356178 0.79 CDK1 (0.40) CDK1AURKACCNB1CDK4CCND3
SCHEMBL1356826 0.79 AURKA (0.55) CDK1AURKACCNB1
SCHEMBL1355882 0.76 AURKA (0.46) CDK1AURKACCNB1ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 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
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 disclosed
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 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 (2 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-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.