SCHEMBL15035333

SCHEMBL15035333

CC1(C)Nc2ccccc2C(=O)C1n1c(=O)c(Nc2cccnc2)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.41
CDK6 Q00534 5/20 0.41
CCND1 P24385 13/20 0.38
CCNA2 P20248 9/20 0.38
CDK2 P24941 9/20 0.38
FGFR1 P11362 8/20 0.37
EGFR P00533 1/20 0.37
FGFR2 P21802 7/20 0.36
FGFR4 P22455 7/20 0.36
FGFR3 P22607 7/20 0.36
CCND2 P30279 4/20 0.36
CCND3 P30281 4/20 0.36
CCNA1 P78396 1/20 0.36
PRKCI P41743 1/20 0.35

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
SCHEMBL15035297 0.87 CDK4 (0.39) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL15035415 0.87 CDK4 (0.42) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL15035435 0.78 FGFR1 (0.36) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035478 0.75 CDK4 (0.41) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL15236999 0.75 PRKCI (0.38) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL15041345 0.75 CDK4 (0.48) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035575 0.74 CDK4 (0.39) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL15035372 0.73 CDK4 (0.42) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL15242121 0.72 PRKCI (0.40) CDK4CDK6CCND1CCNA2CDK2
SCHEMBL15035429 0.72 CDK4 (0.38) CDK4CDK6CCND1CCNA2CDK2

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 435/4885CCND1 2153/4885

“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.