SCHEMBL15041327

SCHEMBL15041327

CN1CC(n2c(=O)c(C(=O)C3CCOCC3)cc3cnc(Nc4ccc(N5CCNCC5)cc4)nc32)C(=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.55
CCND1 P24385 18/20 0.55
CCNA2 P20248 12/20 0.55
CDK2 P24941 12/20 0.55
FGFR1 P11362 12/20 0.55
FGFR2 P21802 11/20 0.55
FGFR4 P22455 11/20 0.55
FGFR3 P22607 11/20 0.55
CCND2 P30279 4/20 0.48
CCND3 P30281 4/20 0.48
CCNA1 P78396 2/20 0.48
CDK6 Q00534 1/20 0.48
CCNE2 O96020 1/20 0.47
CCNE1 P24864 1/20 0.47
PDGFRB P09619 1/20 0.44
SLC2A1 P11166 1/20 0.44
SRC P12931 1/20 0.44
PDGFRA P16234 1/20 0.44
PKMYT1 Q99640 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
SCHEMBL15035549 0.93 CDK4 (0.52) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041813 0.82 CDK4 (0.42) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041577 0.82 CDK4 (0.54) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041324 0.80 TNK2 (0.45) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041139 0.78 FGFR1 (0.46) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041817 0.78 CDK4 (0.58) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041306 0.77 CDK4 (0.48) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035377 0.76 CDK4 (0.41) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041574 0.75 CDK4 (0.51) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035347 0.75 CDK4 (0.52) CDK4CCND1CCNA2CDK2FGFR1

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 2153/4885CCNA2 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.