SCHEMBL15041318

SCHEMBL15041318

CN(C)C(=O)c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C2Cc3ccccc3N(C)S2(=O)=O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.44
CCND1 P24385 9/20 0.44
CDK2 P24941 5/20 0.42
CCNA2 P20248 3/20 0.42
FGFR1 P11362 2/20 0.42
FGFR2 P21802 2/20 0.42
FGFR4 P22455 2/20 0.42
FGFR3 P22607 2/20 0.42
CCND3 P30281 13/20 0.40
CDK6 Q00534 3/20 0.40
CCNE1 P24864 2/20 0.40
CDK9 P50750 4/20 0.39
CDK1 P06493 2/20 0.39
CCNT1 O60563 3/20 0.39
CDK3 Q00526 1/20 0.39
CDK5R1 Q15078 1/20 0.39
HDAC1 Q13547 4/20 0.38
AURKA O14965 1/20 0.38
NTRK1 P04629 1/20 0.38
FLT4 P35916 1/20 0.38

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
SCHEMBL15035321 0.93 CDK4 (0.40) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041844 0.83 CDK4 (0.47) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041329 0.78 CDK4 (0.52) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035504 0.78 CDK4 (0.44) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035540 0.77 CDK4 (0.44) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041818 0.76 CDK4 (0.45) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041136 0.74 CDK4 (0.56) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041594 0.73 CDK4 (0.47) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035450 0.72 WEE1 (0.42) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035479 0.72 CDK4 (0.44) 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 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 CDK4 404/4885CCND1 2153/4885CDK2 183/4885

“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.