SCHEMBL1356819

SCHEMBL1356819

COc1cccc(-n2ncc3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.59
AURKA O14965 1/20 0.59
CCND1 P24385 5/20 0.52
CDK2 P24941 3/20 0.52
CDK1 P06493 2/20 0.52
CCNB1 P14635 2/20 0.52
CCNE1 P24864 2/20 0.52
FGFR4 P22455 3/20 0.51
FGFR1 P11362 1/20 0.51
BRD4 O60885 6/20 0.51
JAK2 O60674 2/20 0.51
JAK1 P23458 2/20 0.51
BRD2 P25440 2/20 0.51
JAK3 P52333 2/20 0.51
BRD3 Q15059 2/20 0.51
BRDT Q58F21 2/20 0.51
CCNA2 P20248 1/20 0.51
EGFR P00533 1/20 0.51
CCND2 P30279 1/20 0.50
CCND3 P30281 1/20 0.50

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
SCHEMBL1353701 0.90 EIF2AK4 (0.60) CDK4AURKACCND1CDK2CDK1
SCHEMBL1355798 0.90 CDK4 (0.73) CDK4AURKACCND1FGFR4BRD4
SCHEMBL1355852 0.90 FGFR4 (0.63) CDK4AURKACCND1CDK2CDK1
SCHEMBL344502 0.86 CDK4 (0.60) CDK4CCND1CDK2CCNE1FGFR4
SCHEMBL1353747 0.85 AURKA (0.58) CDK4AURKAFGFR4FGFR1BRD4
SCHEMBL1356792 0.85 CDK4 (0.53) CDK4AURKACCND1CDK2CDK1
SCHEMBL1355529 0.83 EIF2AK4 (0.53) CDK4AURKABRD4EGFREIF2AK4
SCHEMBL1355752 0.80 EIF2AK4 (0.62) CDK4AURKACCND1CDK2CDK1
SCHEMBL1356097 0.80 MAPT (0.52) CDK4AURKACCND1FGFR1JAK2
SCHEMBL1356046 0.80 FLT3 (0.54) CDK4AURKACDK1CCNB1FGFR4

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 CDK4 101/4885AURKA 9/4885CCND1 160/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885AURKA 9/4885CCND1 160/4885

“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.