SCHEMBL1353817

SCHEMBL1353817

c1ccc(-c2ccccc2-n2ncc3cnc(Nc4ccc(-c5nnn[nH]5)cc4)nc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.36
CCND1 P24385 7/20 0.36
CCND2 P30279 7/20 0.36
CCND3 P30281 7/20 0.36
GSK3A P49840 3/20 0.36
GSK3B P49841 3/20 0.36
CCNB2 O95067 2/20 0.34
CCNE2 O96020 2/20 0.34
CDK1 P06493 2/20 0.34
FGFR1 P11362 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNA2 P20248 2/20 0.34
FGFR2 P21802 2/20 0.34
FGFR4 P22455 2/20 0.34
FGFR3 P22607 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL3583207 0.86 ROCK1 (0.38) CDK4CCND1CCND2CCND3GSK3A
SCHEMBL3593201 0.83 ROCK1 (0.36) CDK4CCND1CCND2CCND3GSK3A
SCHEMBL1353745 0.79 AURKA (0.53) GSK3AGSK3BAURKAAURKB
SCHEMBL1353795 0.77 DCLK1 (0.52) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL1353840 0.77 CDK4 (0.54) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL1356760 0.77 EIF2AK4 (0.57) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL1355868 0.77 EIF2AK4 (0.46) CDK4FGFR1FGFR2FGFR4FGFR3
SCHEMBL1355881 0.76 STAT6 (0.57) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL1355286 0.75 CDK4 (0.59) CDK4CCND1CCND2CCND3CCNB2
SCHEMBL1355558 0.75 CDK1 (0.48) CDK4CCND1CCND2CCND3CCNB2

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 101/4885CCND1 160/4885CCND2 219/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND1 160/4885CCND2 219/4885

“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.