SCHEMBL1356055

SCHEMBL1356055

c1cc(N2CCNCC2)ccc1Nc1ncc2cnn(C3CCCCCC3)c2n1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.69
CCND1 P24385 15/20 0.69
FGFR1 P11362 9/20 0.69
CCNA2 P20248 9/20 0.69
FGFR2 P21802 9/20 0.69
FGFR4 P22455 9/20 0.69
FGFR3 P22607 9/20 0.69
CDK2 P24941 9/20 0.69
CCND2 P30279 7/20 0.67
CCND3 P30281 7/20 0.67
CCNA1 P78396 2/20 0.67
CCNE2 O96020 1/20 0.67
CCNE1 P24864 1/20 0.67
CDK6 Q00534 5/20 0.64
NUAK1 O60285 1/20 0.62

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
SCHEMBL344501 1.00 CDK4 (0.69) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL1355312 0.91 CDK4 (0.67) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL12639361 0.88 CDK4 (0.71) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL1355413 0.88 CDK4 (0.72) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL12639296 0.88 CDK4 (0.72) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL344014 0.87 CDK4 (0.73) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL1355826 0.87 CDK1 (0.57) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL1355087 0.87 CDK4 (0.73) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL12639329 0.87 CDK4 (0.61) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL344178 0.86 CDK4 (0.71) CDK4CCND1FGFR1CCNA2FGFR2

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 160/4885FGFR1 940/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CCND1 160/4885FGFR1 940/4885

“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.