SCHEMBL1355702

SCHEMBL1355702

CS(=O)(=O)NC(=O)c1ccc(Nc2ncc3cnn(C4CCc5ccccc54)c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.45
CDK1 P06493 13/20 0.45
CCNB1 P14635 13/20 0.45
MARK3 P27448 2/20 0.44
MARK4 Q96L34 2/20 0.44
EGFR P00533 1/20 0.40
JAK2 O60674 3/20 0.39
BRD4 O60885 3/20 0.39
AURKB Q96GD4 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL1355699 1.00 AURKA (0.45) AURKACDK1CCNB1MARK3MARK4
SCHEMBL3587815 0.88 MARK3 (0.42) AURKACDK1CCNB1MARK3MARK4
SCHEMBL3585972 0.87 AURKA (0.53) AURKACDK1CCNB1MARK3MARK4
SCHEMBL3576677 0.87 AURKA (0.53) AURKACDK1CCNB1MARK3MARK4
SCHEMBL3576674 0.87 AURKA (0.53) AURKACDK1CCNB1MARK3MARK4
SCHEMBL3588604 0.86 GSK3B (0.47) AURKAMARK3MARK4JAK2AURKB
SCHEMBL3583888 0.86 GSK3B (0.47) AURKAMARK3MARK4JAK2AURKB
SCHEMBL3583884 0.86 GSK3B (0.47) AURKAMARK3MARK4JAK2AURKB
SCHEMBL3585284 0.86 AURKA (0.47) AURKACDK1CCNB1MARK3MARK4
SCHEMBL3585042 0.83 AURKA (0.54) AURKACDK1CCNB1MARK3MARK4

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-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
EP-2108019-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
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-2008094575-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
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 AURKA 9/4885CDK1 3/4885CCNB1 12/4885
US-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B AURKA 10/4885CDK1 1/4885CCNB1 17/4885
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.