SCHEMBL15035557

SCHEMBL15035557

O=C1Nc2ccccc2CC1n1c(=O)c(Nc2cccnc2)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.43
CCNA2 P20248 8/20 0.43
CCNA1 P78396 3/20 0.43
CDK4 P11802 13/20 0.40
CCND1 P24385 12/20 0.40
CDK6 Q00534 2/20 0.40
CCND3 P30281 5/20 0.40
CCND2 P30279 3/20 0.40
ROCK1 Q13464 1/20 0.39
CCNE1 P24864 1/20 0.38
FGFR1 P11362 5/20 0.38
FGFR2 P21802 5/20 0.38
FGFR4 P22455 5/20 0.38
FGFR3 P22607 5/20 0.38
PIM1 P11309 1/20 0.38
GSK3B P49841 1/20 0.38
PAK3 O75914 1/20 0.38
PAK4 O96013 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38

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
SCHEMBL15035351 0.83 CDK2 (0.45) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL15035455 0.83 CCNA2 (0.43) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL15035417 0.75 CDK4 (0.44) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL15034828 0.74 CCNA2 (0.41) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL15035040 0.74 CCNA2 (0.41) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL15035319 0.73 PAK3 (0.49) CDK2CCNA2CDK4CCND1CDK6
SCHEMBL15041635 0.73 BRD4 (0.42) CDK2CCNA2CCNA1PAK3PAK4
SCHEMBL15035738 0.73 CCNA2 (0.39) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL15035903 0.73 CCNA2 (0.39) CDK2CCNA2CCNA1CDK4CCND1
SCHEMBL15041615 0.72 CDK4 (0.56) CDK2CCNA2CCNA1CDK4CCND1

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 CDK2 183/4885CCNA2 2011/4885CCNA1 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.