SCHEMBL1353806

SCHEMBL1353806

COc1ccc(Cn2ncc3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.55
CCND1 P24385 13/20 0.55
CDK2 P24941 7/20 0.55
CCNE1 P24864 3/20 0.55
CDK1 P06493 2/20 0.55
CCNB1 P14635 2/20 0.55
STAT6 P42226 1/20 0.51
BRD4 O60885 4/20 0.51
FGFR1 P11362 6/20 0.49
CCNA2 P20248 5/20 0.48
CCND2 P30279 5/20 0.47
CCND3 P30281 5/20 0.47
FGFR2 P21802 5/20 0.46
FGFR4 P22455 5/20 0.46
FGFR3 P22607 5/20 0.46
NUAK1 O60285 1/20 0.46
CCNE2 O96020 1/20 0.45
CCNA1 P78396 1/20 0.45
FLT3 P36888 1/20 0.45

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
SCHEMBL1355913 0.88 STAT6 (0.51) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1356692 0.88 STAT6 (0.55) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1356792 0.87 CDK4 (0.53) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1356618 0.83 CDK4 (0.53) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1355864 0.77 STAT6 (0.53) CDK4CCND1CDK2CCNE1STAT6
SCHEMBL672966 0.76 JAK3 (0.48) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL1353701 0.76 EIF2AK4 (0.60) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL5900462 0.76 CDK4 (0.76) CDK4CCND1CDK2CCNE1FGFR1
Hydrochloric Acid SCHEMBL23441075 0.75 CDK4 (0.54) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL1356819 0.75 CDK4 (0.59) 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 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 160/4885CDK2 10/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND1 160/4885CDK2 10/4885

“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.