SCHEMBL15041238

SCHEMBL15041238

Cc1cc(-c2cnsc2)cnc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.39
TNK2 Q07912 14/20 0.39
SRC P12931 1/20 0.39
PIK3CA P42336 3/20 0.37
FGFR1 P11362 1/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
PAK2 Q13177 1/20 0.36

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
SCHEMBL13553621 0.92 TNK2 (0.40) PAK1TNK2SRC
SCHEMBL15785306 0.81 TNK2 (0.42) TNK2SRC
SCHEMBL16309174 0.80 PAK1 (0.43) PAK1TNK2SRCFGFR1CDK4
SCHEMBL15787929 0.77 STK4 (0.38) PAK1TNK2SRCFGFR1CDK4
SCHEMBL15041482 0.77 TNK2 (0.42) TNK2SRC
SCHEMBL15041260 0.77 RIPK2 (0.39) TNK2SRCFGFR1CDK4CCNA2
SCHEMBL14681970 0.76 PRKDC (0.43) PAK1TNK2SRC
SCHEMBL15041473 0.76 PAK1 (0.46) PAK1TNK2SRCFGFR1PAK2
SCHEMBL13553886 0.76 PAK1 (0.44) PAK1TNK2SRCFGFR1
SCHEMBL13553844 0.76 PAK1 (0.43) PAK1TNK2FGFR1CDK4CCNA2

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 PAK1 4/4885TNK2 7/4885SRC 26/4885

“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.