SCHEMBL15035455

SCHEMBL15035455

O=c1c(Nc2cccnc2)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n1C1Cc2ccccc2S(=O)(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 9/20 0.43
CDK2 P24941 9/20 0.43
CCNA1 P78396 4/20 0.43
ROCK1 Q13464 1/20 0.40
CDK4 P11802 11/20 0.39
CCND1 P24385 9/20 0.39
CCND3 P30281 4/20 0.39
CCND2 P30279 2/20 0.39
TNK2 Q07912 1/20 0.39
PIM1 P11309 2/20 0.39
GSK3B P49841 2/20 0.39
CDK6 Q00534 1/20 0.38
EGFR P00533 1/20 0.38
FGFR1 P11362 5/20 0.37
FGFR2 P21802 5/20 0.37
FGFR4 P22455 5/20 0.37
FGFR3 P22607 5/20 0.37
PAK3 O75914 1/20 0.37
PAK4 O96013 1/20 0.37
LIMK1 P53667 1/20 0.37

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
SCHEMBL15035557 0.83 CDK2 (0.43) CCNA2CDK2CCNA1ROCK1CDK4
SCHEMBL15035351 0.82 CDK2 (0.45) CCNA2CDK2CCNA1ROCK1CDK4
SCHEMBL15035040 0.73 CCNA2 (0.41) CCNA2CDK2CCNA1CDK4CCND1
SCHEMBL15034828 0.73 CCNA2 (0.41) CCNA2CDK2CCNA1CDK4CCND1
SCHEMBL15041333 0.73 CDK4 (0.55) CCNA2CDK2CCNA1CDK4CCND1
SCHEMBL15035481 0.72 CDK4 (0.52) CCNA2CDK2CCNA1CDK4CCND1
SCHEMBL15041635 0.72 BRD4 (0.42) CCNA2CDK2CCNA1TNK2PAK3
SCHEMBL15035738 0.72 CCNA2 (0.39) CCNA2CDK2CCNA1CDK4CCND1
SCHEMBL15035388 0.72 PAK3 (0.49) CCNA2CDK2CCNA1CDK4CCND1
SCHEMBL15035903 0.72 CCNA2 (0.39) CCNA2CDK2CCNA1CDK4CCND1

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 CCNA2 2011/4885CDK2 183/4885CCNA1 1938/4885

“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.