SCHEMBL15035248

SCHEMBL15035248

O=c1c(-c2ccccc2Cl)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n1C1CSc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.41
CDK6 Q00534 2/20 0.41
TNK2 Q07912 8/20 0.40
RIPK2 O43353 2/20 0.39
ACVR1 Q04771 2/20 0.39
NOD2 Q9HC29 2/20 0.39
FGFR1 P11362 5/20 0.38
FGFR2 P21802 3/20 0.38
FGFR4 P22455 3/20 0.38
FGFR3 P22607 3/20 0.38
SRC P12931 3/20 0.38
CCND1 P24385 3/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
EGFR P00533 2/20 0.38
WEE1 P30291 1/20 0.38
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
CCNA1 P78396 1/20 0.37
MAPK14 Q16539 2/20 0.37

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
SCHEMBL15035257 0.87 CDK4 (0.42) CDK4CDK6TNK2RIPK2ACVR1
SCHEMBL15035249 0.86 CDK4 (0.41) CDK4CDK6TNK2RIPK2ACVR1
SCHEMBL15035250 0.85 TNK2 (0.43) CDK4CDK6TNK2RIPK2ACVR1
SCHEMBL15035282 0.82 FGFR1 (0.58) CDK4CDK6TNK2FGFR1FGFR2
SCHEMBL15035266 0.82 PAK3 (0.56) CDK4CDK6TNK2FGFR1FGFR2
SCHEMBL15035251 0.78 CDK4 (0.43) CDK4CDK6TNK2RIPK2ACVR1
SCHEMBL15035246 0.77 CDK4 (0.43) CDK4CDK6TNK2RIPK2ACVR1
SCHEMBL15035589 0.77 CDK4 (0.43) CDK4CDK6FGFR1FGFR2FGFR4
SCHEMBL15035256 0.76 PAK1 (0.42) TNK2RIPK2NOD2
SCHEMBL15035268 0.76 PAK1 (0.55) CDK4CDK6TNK2RIPK2NOD2

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 CDK4 404/4885CDK6 435/4885TNK2 7/4885

“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.