SCHEMBL1356293

SCHEMBL1356293

CC(C)(C(=O)O)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.60
CDK1 P06493 17/20 0.60
CCNB1 P14635 15/20 0.60
AURKB Q96GD4 2/20 0.57
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CDK4 P11802 3/20 0.47
CCND1 P24385 3/20 0.47
CCND2 P30279 2/20 0.47
CCND3 P30281 2/20 0.47

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
SCHEMBL1355926 0.87 AURKA (0.55) AURKACDK1CCNB1AURKBCYP3A4
SCHEMBL1355457 0.86 CDK1 (0.56) AURKACDK1CCNB1AURKBCYP3A4
SCHEMBL343480 0.84 AURKA (0.58) AURKACDK1CCNB1AURKBCYP3A4
SCHEMBL1355769 0.84 AURKA (0.62) AURKACDK1CCNB1AURKBCYP3A4
SCHEMBL12639234 0.84 AURKA (0.62) AURKACDK1CCNB1AURKBCYP3A4
SCHEMBL1355349 0.83 AURKA (0.64) AURKACDK1CCNB1AURKBCYP3A4
SCHEMBL1356010 0.81 AURKA (0.59) AURKACDK1CCNB1AURKBCYP3A4
SCHEMBL1353660 0.81 CDK4 (0.63) AURKACDK1CCNB1AURKBCYP3A4
SCHEMBL12133460 0.80 CDK1 (0.67) AURKACDK1CCNB1AURKBCYP3A4
SCHEMBL1356224 0.79 AURKA (0.64) AURKACDK1CCNB1AURKBCYP3A4

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-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

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 AURKA 9/4885CDK1 3/4885CCNB1 12/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 AURKA 9/4885CDK1 3/4885CCNB1 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.