SCHEMBL3579088

SCHEMBL3579088

c1ccc2c(c1)CCC2n1ncc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.52
AURKA O14965 3/20 0.52
STAT6 P42226 6/20 0.51
CCND3 P30281 4/20 0.50
CCND1 P24385 4/20 0.50
CCND2 P30279 3/20 0.50
CDK2 P24941 3/20 0.50
CDK1 P06493 3/20 0.50
CCNB1 P14635 3/20 0.50
CCNA2 P20248 2/20 0.50
CCNB2 O95067 2/20 0.50
CCNB3 Q8WWL7 2/20 0.50
CCNE1 P24864 2/20 0.50
CCNE2 O96020 1/20 0.50
CCNA1 P78396 1/20 0.50
SYK P43405 1/20 0.49
AURKB Q96GD4 1/20 0.48
IGF1R P08069 1/20 0.48
CDK6 Q00534 3/20 0.47
CCNK O75909 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
SCHEMBL3583817 1.00 CDK4 (0.52) CDK4AURKASTAT6CCND3CCND1
SCHEMBL3579086 1.00 CDK4 (0.52) CDK4AURKASTAT6CCND3CCND1
SCHEMBL1355795 0.94 CDK4 (0.52) CDK4AURKASTAT6CCND3CCND1
SCHEMBL3590043 0.91 CDK4 (0.57) CDK4AURKACCND3CCND1CCND2
SCHEMBL3577561 0.91 CDK4 (0.57) CDK4AURKACCND3CCND1CCND2
SCHEMBL3577564 0.91 CDK4 (0.57) CDK4AURKACCND3CCND1CCND2
SCHEMBL3592565 0.90 CDK4 (0.55) CDK4STAT6CCND3CCND1CCND2
SCHEMBL3584293 0.90 CDK4 (0.55) CDK4STAT6CCND3CCND1CCND2
SCHEMBL3586598 0.90 CDK4 (0.55) CDK4STAT6CCND3CCND1CCND2
SCHEMBL3586000 0.86 JAK2 (0.49) CDK4AURKACCND3CCND1CCND2

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 102/4885AURKA 10/4885STAT6 2276/4885

“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.