SCHEMBL1356147

SCHEMBL1356147

CS(=O)(=O)N(CCN1CCOCC1)c1ccc(Nc2ncc3cnn(Cc4cccc(O)c4)c3n2)cn1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.65
CDK1 P06493 11/20 0.65
CCNB1 P14635 11/20 0.65
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
STAT6 P42226 2/20 0.40
JAK3 P52333 3/20 0.40
JAK2 O60674 1/20 0.40
TBK1 Q9UHD2 1/20 0.38
ABL1 P00519 2/20 0.38
SRC P12931 2/20 0.38
TNK2 Q07912 1/20 0.37

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
SCHEMBL1353898 0.90 AURKA (0.65) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL1356113 0.82 AURKA (0.48) AURKACDK1CCNB1JAK3ABL1
SCHEMBL3583423 0.79 AURKA (0.70) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL1355746 0.79 AURKA (1.00) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL1356746 0.76 AURKA (0.54) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL1355406 0.74 AURKA (0.62) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL1356050 0.74 AURKA (0.62) AURKACDK1CCNB1CYP3A4CYP2C9
SCHEMBL1662508 0.73 JAK3 (0.54) JAK3JAK2
SCHEMBL673467 0.73 JAK3 (0.49) AURKACDK1STAT6JAK3JAK2
SCHEMBL1356281 0.73 AURKA (0.60) AURKACDK1CCNB1CYP3A4CYP2C9

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 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.