SCHEMBL3588808

SCHEMBL3588808

c1ccc2c(-n3ncc4cnc(Nc5ccc(N6CCNCC6)cc5)nc43)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.54
CDK6 Q00534 7/20 0.54
CCND1 P24385 6/20 0.50
CCNA2 P20248 3/20 0.50
CDK2 P24941 3/20 0.50
CCND2 P30279 4/20 0.49
CCND3 P30281 4/20 0.49
FGFR1 P11362 3/20 0.48
FGFR2 P21802 3/20 0.48
FGFR4 P22455 3/20 0.48
FGFR3 P22607 3/20 0.48
CCNE2 O96020 1/20 0.48
CCNE1 P24864 1/20 0.48
CCNA1 P78396 1/20 0.48
KDM1A O60341 1/20 0.47
NUAK1 O60285 1/20 0.47
STAT6 P42226 1/20 0.47
JAK2 O60674 2/20 0.47
BRD4 O60885 2/20 0.47
JAK1 P23458 2/20 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
SCHEMBL3587747 0.93 CDK4 (0.51) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL3585927 0.89 STAT6 (0.53) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL3571516 0.88 EGFR (0.56) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL344502 0.86 CDK4 (0.60) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL1353840 0.85 CDK4 (0.54) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL1356073 0.82 STAT6 (0.50) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL3583178 0.81 SRC (0.42) CDK4CCND1CCNA2CDK2CCND2
SCHEMBL3590227 0.79 MAPK10 (0.49) CDK4CCND1CCND2CCND3STAT6
SCHEMBL1356819 0.79 CDK4 (0.59) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL1353701 0.78 EIF2AK4 (0.60) CDK4CDK6CCND1CCNA2CDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 US claimed
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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 (1 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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B CDK4 102/4885CDK6 64/4885CCND1 210/4885

“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.