SCHEMBL12639296

SCHEMBL12639296

c1cc(N2CCOCC2)ccc1Nc1ncc2cnn(C3CCCCC3)c2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.72
AURKA O14965 10/20 0.72
CDK1 P06493 14/20 0.67
CCNB1 P14635 13/20 0.67
CCND1 P24385 9/20 0.67
CDK2 P24941 6/20 0.67
CCND2 P30279 5/20 0.67
CCND3 P30281 5/20 0.67
CCNE1 P24864 5/20 0.67
CCNB2 O95067 4/20 0.67
CCNB3 Q8WWL7 4/20 0.67
CCNA2 P20248 4/20 0.67
CCNE2 O96020 3/20 0.67
CCNA1 P78396 3/20 0.67
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
CDK6 Q00534 1/20 0.57
INSR P06213 1/20 0.57
PDGFRB P09619 1/20 0.57

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 1.00 CDK4 (0.72) CDK4AURKACDK1CCNB1CCND1
SCHEMBL1355312 0.92 CDK4 (0.67) CDK4AURKACDK1CCNB1CCND1
SCHEMBL12639351 0.89 CDK4 (0.60) CDK4AURKACDK1CCNB1CCND1
SCHEMBL12639310 0.89 CDK1 (0.59) CDK4AURKACDK1CCNB1CCND1
SCHEMBL12639329 0.88 CDK4 (0.61) CDK4AURKACDK1CCNB1CCND1
SCHEMBL1355826 0.88 CDK1 (0.57) CDK4AURKACDK1CCNB1CCND1
SCHEMBL1356055 0.88 CDK4 (0.69) CDK4CCND1CDK2CCND2CCND3
SCHEMBL344501 0.88 CDK4 (0.69) CDK4CCND1CDK2CCND2CCND3
SCHEMBL1355087 0.88 CDK4 (0.73) CDK4AURKACDK1CCNB1CCND1
SCHEMBL344014 0.88 CDK4 (0.73) CDK4AURKACDK1CCNB1CCND1

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-7947695-B2 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-7947695-B2 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-20080070914-A1 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent JANSSEN-CILAG (FR) 2008-03-20 US disclosed
US-20080070914-A1 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent JANSSEN-CILAG (FR) 2008-03-20 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-20080070914-A1 Inhibitors of cell cycle kinases such as cyclin dependent kinase CDK4 and/or the Aurora kinases; use in combination with an anticancer agent CDK1, CDK2, CDK4 CDK4 3/4885AURKA 10/4885CDK1 1/4885

“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.