SCHEMBL15035544

SCHEMBL15035544

C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)c(C)c3)nc2n(C2C(=O)c3ccccc3NC2(C)C)c1=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 9/20 0.43
CDK4 P11802 6/20 0.42
CCND1 P24385 6/20 0.42
FGFR1 P11362 4/20 0.42
CCNA2 P20248 4/20 0.42
FGFR2 P21802 4/20 0.42
FGFR4 P22455 4/20 0.42
FGFR3 P22607 4/20 0.42
CDK2 P24941 4/20 0.42
KCNH2 Q12809 1/20 0.41
WEE1 P30291 3/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
PAK3 O75914 1/20 0.39
PAK4 O96013 1/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
PAK1 Q13153 1/20 0.39
PAK2 Q13177 1/20 0.39
PKN1 Q16512 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
SCHEMBL15041314 0.93 CDK4 (0.44) TNK2CDK4CCND1FGFR1CCNA2
SCHEMBL15035336 0.88 CDK4 (0.42) TNK2CDK4CCND1FGFR1CCNA2
SCHEMBL15035443 0.87 CDK4 (0.43) TNK2CDK4CCND1FGFR1CCNA2
SCHEMBL15041557 0.81 CDK4 (0.44) TNK2CDK4CCND1FGFR1CCNA2
SCHEMBL15035260 0.80 PAK3 (0.57) TNK2CDK4CCND1CCNA2CDK2
SCHEMBL15041331 0.80 CDK4 (0.45) TNK2CDK4CCND1FGFR1CCNA2
SCHEMBL15035347 0.79 CDK4 (0.52) CDK4CCND1FGFR1CCNA2FGFR2
SCHEMBL15035507 0.78 TNK2 (0.45) TNK2CDK4CCND1FGFR1CCNA2
SCHEMBL15035307 0.78 PAK3 (0.41) TNK2CDK4CCND1FGFR1CCNA2
SCHEMBL15041577 0.77 CDK4 (0.54) CDK4CCND1FGFR1CCNA2FGFR2

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 TNK2 7/4885CDK4 404/4885CCND1 2153/4885

“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.