SCHEMBL15035112

SCHEMBL15035112

CN1CCCC(Nc2ccc(Nc3ncc4cc(-c5ncc(-c6cncs6)cc5Cl)c(=O)n(C5CCCC5)c4n3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 3/20 0.48
PKN1 Q16512 3/20 0.48
PAK3 O75914 2/20 0.48
PAK2 Q13177 2/20 0.48
CDK4 P11802 15/20 0.43
CCND1 P24385 14/20 0.43
CDK2 P24941 14/20 0.43
CCNA2 P20248 12/20 0.43
FGFR1 P11362 9/20 0.43
CCNE1 P24864 5/20 0.43
CDK9 P50750 3/20 0.43
CDK6 Q00534 3/20 0.43
CCNT1 O60563 2/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
PIK3CD O00329 1/20 0.43
PRKAB2 O43741 1/20 0.43
NUAK1 O60285 1/20 0.43
ABL1 P00519 1/20 0.43
FYN P06241 1/20 0.43

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
SCHEMBL15787961 0.93 PAK1 (0.52) PAK1PKN1PAK3PAK2CDK4
SCHEMBL14682037 0.87 PAK1 (0.47) PAK1PKN1PAK3PAK2CDK4
SCHEMBL13553761 0.87 CCND1 (0.44) PAK1PKN1CDK4CCND1CDK2
SCHEMBL15036367 0.76 CDK4 (0.60) PAK1PKN1CDK4CCND1CDK2
SCHEMBL15041864 0.75 CDK4 (0.46) PAK1PKN1CDK4CCND1CDK2
SCHEMBL15787912 0.73 CCND1 (0.47) PAK1PKN1CDK4CCND1CDK2
SCHEMBL15787918 0.71 PAK1 (0.50) PAK1PKN1PAK3PAK2PAK4
SCHEMBL14682121 0.71 CCNE1 (0.47) CDK4CCND1CDK2CCNE1CDK9
SCHEMBL13553927 0.70 CCND1 (0.40) PAK1PKN1PAK3PAK2CDK4
SCHEMBL15787839 0.70 CDK4 (0.52) CDK4CCND1CDK2CCNA2FGFR1

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 PAK1 4/4885PKN1 326/4885PAK3 6/4885

“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.