SCHEMBL15034780

SCHEMBL15034780

Cc1ccccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2cnccc2-c2ccncc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.49
CCND1 P24385 12/20 0.49
CCNA2 P20248 7/20 0.49
CDK2 P24941 7/20 0.49
FGFR1 P11362 7/20 0.49
FGFR2 P21802 7/20 0.49
FGFR4 P22455 7/20 0.49
FGFR3 P22607 7/20 0.49
CCND2 P30279 4/20 0.48
CCND3 P30281 4/20 0.48
WEE1 P30291 1/20 0.46
TNK2 Q07912 1/20 0.46
PAK4 O96013 1/20 0.46
PAK1 Q13153 1/20 0.46
PKN1 Q16512 1/20 0.46
CCNA1 P78396 1/20 0.45
CDK6 Q00534 1/20 0.45
JAK2 O60674 1/20 0.44
BRD4 O60885 1/20 0.44

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
SCHEMBL15236997 0.94 CDK4 (0.48) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035026 0.87 CDK4 (0.47) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15237036 0.83 CDK4 (0.52) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035653 0.81 CDK4 (0.44) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036280 0.80 CDK4 (0.45) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035834 0.80 TNK2 (0.55) TNK2PAK4PAK1PKN1
SCHEMBL16309191 0.80 JAK2 (0.49) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035787 0.80 CDK4 (0.48) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15034888 0.80 CDK4 (0.51) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15034960 0.79 TNK2 (0.57) TNK2PAK4PAK1PKN1

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 404/4885CCND1 2153/4885CCNA2 2011/4885

“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.