SCHEMBL1353840

SCHEMBL1353840

c1ccc(-c2ccccc2-n2ncc3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.54
CCND1 P24385 5/20 0.54
CCNA2 P20248 3/20 0.54
CDK2 P24941 3/20 0.54
CDK6 Q00534 6/20 0.52
CCND3 P30281 3/20 0.50
FGFR1 P11362 2/20 0.50
FGFR2 P21802 2/20 0.50
FGFR4 P22455 2/20 0.50
FGFR3 P22607 2/20 0.50
CCND2 P30279 2/20 0.50
CCNE2 O96020 1/20 0.50
CCNE1 P24864 1/20 0.50
CCNA1 P78396 1/20 0.50
STAT6 P42226 2/20 0.49
WEE1 P30291 1/20 0.47
KDR P35968 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVR1 Q04771 1/20 0.47
PRKAB1 Q9Y478 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
SCHEMBL1355881 0.89 STAT6 (0.57) CDK4CCND1CCNA2CDK2CDK6
SCHEMBL1355286 0.89 CDK4 (0.59) CDK4CCND1CCNA2CDK2CCND3
SCHEMBL344502 0.87 CDK4 (0.60) CDK4CCND1CCNA2CDK2CDK6
SCHEMBL3588808 0.85 CDK4 (0.54) CDK4CCND1CCNA2CDK2CDK6
SCHEMBL3587747 0.82 CDK4 (0.51) CDK4CCND1CCNA2CDK2CDK6
SCHEMBL16513553 0.80 JUN (0.66) CDK4CCND1CCNA2CDK2CDK6
SCHEMBL1353745 0.79 AURKA (0.53) JAK2
SCHEMBL1353701 0.77 EIF2AK4 (0.60) CDK4CCND1CCNA2CDK2CDK6
SCHEMBL1353795 0.77 DCLK1 (0.52) CDK4CCND1CCNA2CDK2CCND3
SCHEMBL1353817 0.77 CDK4 (0.36) CDK4CCND1CCNA2CDK2CCND3

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 4 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

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 160/4885CCNA2 138/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND1 160/4885CCNA2 138/4885

“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.