SCHEMBL15035296

SCHEMBL15035296

Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2C(=O)c3ccccc3N(C)C2(C)C)c1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.54
CCND1 P24385 20/20 0.54
CCNA2 P20248 15/20 0.54
CDK2 P24941 15/20 0.54
FGFR1 P11362 13/20 0.54
FGFR2 P21802 13/20 0.54
FGFR4 P22455 13/20 0.54
FGFR3 P22607 13/20 0.54
CCND2 P30279 6/20 0.49
CCND3 P30281 6/20 0.49
CCNA1 P78396 3/20 0.49
CCNE2 O96020 1/20 0.48
CCNE1 P24864 1/20 0.48
NUAK1 O60285 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
SCHEMBL15035514 0.82 CDK4 (0.54) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041324 0.80 TNK2 (0.45) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035337 0.79 CDK4 (0.51) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041574 0.79 CDK4 (0.51) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035507 0.79 TNK2 (0.45) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035370 0.79 TNK2 (0.52) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035413 0.79 CDK4 (0.58) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035537 0.77 CDK4 (0.39) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035459 0.76 CDK4 (0.39) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035327 0.76 CCND1 (0.44) CDK4CCND1CCNA2CDK2FGFR1

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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885CCNA2 2011/4885

“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.