SCHEMBL1355312

SCHEMBL1355312

c1cc(N2CCCCC2)ccc1Nc1ncc2cnn(C3CCCCCC3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.67
CDK1 P06493 12/20 0.67
CCNB1 P14635 11/20 0.67
CCND1 P24385 9/20 0.67
CCND2 P30279 6/20 0.67
CCND3 P30281 6/20 0.67
CCNA2 P20248 6/20 0.67
CDK2 P24941 6/20 0.67
CCNE2 O96020 5/20 0.67
CCNE1 P24864 5/20 0.67
CCNA1 P78396 5/20 0.67
CCNB2 O95067 3/20 0.67
CCNB3 Q8WWL7 3/20 0.67
AURKA O14965 11/20 0.61
INSR P06213 1/20 0.60
PDGFRB P09619 1/20 0.60
SRC P12931 1/20 0.60
PDGFRA P16234 1/20 0.60
FLT1 P17948 1/20 0.60
FLT4 P35916 1/20 0.60

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
SCHEMBL1355413 0.92 CDK4 (0.72) CDK4CDK1CCNB1CCND1CCND2
SCHEMBL12639296 0.92 CDK4 (0.72) CDK4CDK1CCNB1CCND1CCND2
SCHEMBL12639329 0.91 CDK4 (0.61) CDK4CDK1CCNB1CCND1CCND2
SCHEMBL1356055 0.91 CDK4 (0.69) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL344014 0.91 CDK4 (0.73) CDK4CDK1CCNB1CCND1CCND2
SCHEMBL344501 0.91 CDK4 (0.69) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL1355826 0.91 CDK1 (0.57) CDK4CDK1CCNB1CCND1CCND2
SCHEMBL1355087 0.91 CDK4 (0.73) CDK4CDK1CCNB1CCND1CCND2
SCHEMBL344178 0.90 CDK4 (0.71) CDK4CDK1CCNB1CCND1CCND2
SCHEMBL12639330 0.88 CDK1 (0.60) CDK4CDK1CCNB1CCND1CCND2

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 101/4885CDK1 3/4885CCNB1 12/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CDK4 101/4885CDK1 3/4885CCNB1 12/4885

“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.