SCHEMBL3586598

SCHEMBL3586598

c1ccc2c(c1)CC[C@@H]2n1ncc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.55
CDK6 Q00534 7/20 0.55
CCND1 P24385 12/20 0.51
CDK2 P24941 9/20 0.51
CCNA2 P20248 8/20 0.51
FGFR1 P11362 7/20 0.51
FGFR2 P21802 7/20 0.51
FGFR4 P22455 7/20 0.51
FGFR3 P22607 7/20 0.51
CCND2 P30279 4/20 0.51
CCND3 P30281 4/20 0.51
CCNA1 P78396 2/20 0.51
CCNE1 P24864 2/20 0.51
CCNE2 O96020 1/20 0.51
NUAK1 O60285 1/20 0.47
STAT6 P42226 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 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
SCHEMBL3592565 1.00 CDK4 (0.55) CDK4CDK6CCND1CDK2CCNA2
SCHEMBL3584293 1.00 CDK4 (0.55) CDK4CDK6CCND1CDK2CCNA2
SCHEMBL3575896 0.90 CDK4 (0.51) CDK4CDK6CCND1CDK2CCNA2
SCHEMBL3577561 0.90 CDK4 (0.57) CDK4CDK6CCND1CDK2CCNA2
SCHEMBL3583817 0.90 CDK4 (0.52) CDK4CDK6CCND1CDK2CCNA2
SCHEMBL3579086 0.90 CDK4 (0.52) CDK4CDK6CCND1CDK2CCNA2
SCHEMBL3590043 0.90 CDK4 (0.57) CDK4CDK6CCND1CDK2CCNA2
SCHEMBL3577564 0.90 CDK4 (0.57) CDK4CDK6CCND1CDK2CCNA2
SCHEMBL3579088 0.90 CDK4 (0.52) CDK4CDK6CCND1CDK2CCNA2
SCHEMBL3586005 0.85 JAK2 (0.49) CDK4CCND1CDK2CCNA2FGFR1

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.