SCHEMBL15041325

SCHEMBL15041325

CC1CNCCN1c1ccc(Nc2ncc3cc(C(=O)c4ccccc4)c(=O)n(C4Cc5ccccc5CC4=O)c3n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.41
CCND1 P24385 8/20 0.41
CCNT1 O60563 1/20 0.41
CCND3 P30281 1/20 0.41
CDK9 P50750 1/20 0.41
CDK6 Q00534 1/20 0.41
PAK3 O75914 1/20 0.41
PAK4 O96013 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
PAK1 Q13153 1/20 0.41
PAK2 Q13177 1/20 0.41
PKN1 Q16512 1/20 0.41
CDK2 P24941 6/20 0.39
CCNA2 P20248 4/20 0.39
FGFR1 P11362 3/20 0.39
FGFR2 P21802 3/20 0.39
FGFR4 P22455 3/20 0.39
FGFR3 P22607 3/20 0.39
WEE1 P30291 1/20 0.39

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
SCHEMBL15035394 0.94 PAK3 (0.41) CDK4CCND1CCNT1CCND3CDK9
SCHEMBL15041820 0.91 CDK4 (0.40) CDK4CCND1CCNT1CCND3CDK9
SCHEMBL15035492 0.84 PAK3 (0.39) CDK4CCND1CCNT1CCND3CDK9
SCHEMBL15035562 0.77 CDK4 (0.48) CDK4CCND1CCNT1CCND3CDK9
SCHEMBL15041622 0.77 PAK3 (0.38) CDK4CCND1CCNT1CCND3CDK9
SCHEMBL15041242 0.76 PAK3 (0.38) CDK4CCND1CCNT1CCND3CDK9
SCHEMBL15041595 0.76 CDK4 (0.48) CDK4CCND1CCNT1CCND3CDK9
SCHEMBL15041183 0.76 PAK3 (0.37) CDK4CCND1CCNT1CCND3CDK9
SCHEMBL15035354 0.76 CDK4 (0.47) CDK4CCND1CCNT1CCND3CDK9
SCHEMBL15041383 0.75 PAK3 (0.37) CDK4CCND1CCNT1CCND3CDK9

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 1 patent. 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

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 2153/4885CCNT1 2002/4885

“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.