SCHEMBL1355826

SCHEMBL1355826

c1cc(N2CCSCC2)ccc1Nc1ncc2cnn(C3CCCCCC3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.57
AURKA O14965 13/20 0.57
CCNB1 P14635 12/20 0.57
CDK4 P11802 11/20 0.57
CCND1 P24385 7/20 0.57
CCNA2 P20248 6/20 0.57
CDK2 P24941 6/20 0.57
CCND2 P30279 6/20 0.57
CCND3 P30281 6/20 0.57
CCNE2 O96020 5/20 0.57
CCNE1 P24864 5/20 0.57
CCNA1 P78396 5/20 0.57
CCNB2 O95067 3/20 0.57
CCNB3 Q8WWL7 3/20 0.57
INSR P06213 1/20 0.56
PDGFRB P09619 1/20 0.56
SRC P12931 1/20 0.56
PDGFRA P16234 1/20 0.56
FLT1 P17948 1/20 0.56
FLT4 P35916 1/20 0.56

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
SCHEMBL1355312 0.91 CDK4 (0.67) CDK1AURKACCNB1CDK4CCND1
SCHEMBL12639296 0.88 CDK4 (0.72) CDK1AURKACCNB1CDK4CCND1
SCHEMBL1355413 0.88 CDK4 (0.72) CDK1AURKACCNB1CDK4CCND1
SCHEMBL12639329 0.87 CDK4 (0.61) CDK1AURKACCNB1CDK4CCND1
SCHEMBL344501 0.87 CDK4 (0.69) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL344014 0.87 CDK4 (0.73) CDK1AURKACCNB1CDK4CCND1
SCHEMBL1356055 0.87 CDK4 (0.69) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL1355087 0.87 CDK4 (0.73) CDK1AURKACCNB1CDK4CCND1
SCHEMBL344178 0.86 CDK4 (0.71) CDK1AURKACCNB1CDK4CCND1
SCHEMBL3837154 0.84 CDK4 (0.56) CDK1AURKACCNB1CDK4CCND1

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
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.