SCHEMBL1355913

SCHEMBL1355913

COc1ccc(Cn2ncc3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.51
CDK4 P11802 9/20 0.51
CCND1 P24385 8/20 0.51
CDK2 P24941 6/20 0.51
CCNE1 P24864 3/20 0.51
CDK1 P06493 2/20 0.51
CCNB1 P14635 2/20 0.51
FGFR1 P11362 4/20 0.51
CCNA2 P20248 4/20 0.50
FGFR4 P22455 4/20 0.49
BRD4 O60885 2/20 0.49
EGFR P00533 1/20 0.48
KDR P35968 1/20 0.48
CDK6 Q00534 1/20 0.47
CCND2 P30279 3/20 0.47
CCND3 P30281 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL1356692 0.92 STAT6 (0.55) STAT6CDK4CCND1CDK2CCNE1
SCHEMBL1356792 0.89 CDK4 (0.53) STAT6CDK4CCND1CDK2CCNE1
SCHEMBL1353806 0.88 CDK4 (0.55) STAT6CDK4CCND1CDK2CCNE1
SCHEMBL1353701 0.85 EIF2AK4 (0.60) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1355924 0.82 CCND3 (0.55) CDK4CCND1CDK2CCNA2FGFR4
SCHEMBL1355864 0.79 STAT6 (0.53) STAT6CDK4CCND1CDK2CCNE1
SCHEMBL1356819 0.79 CDK4 (0.59) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1355968 0.77 STAT6 (0.58) STAT6CDK4CCND1CDK2CCNE1
SCHEMBL1356054 0.77 CDK4 (0.47) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1355752 0.75 EIF2AK4 (0.62) CDK4CCND1CDK2CCNE1CDK1

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 STAT6 2214/4885CDK4 101/4885CCND1 160/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 STAT6 2214/4885CDK4 101/4885CCND1 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.