SCHEMBL15041525

SCHEMBL15041525

Cc1nc(C2CCNC2)ncc1-c1cc2cnc(Nc3ccc(OC4CCN(C)C4)cc3)nc2n(-c2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.39
CCND1 P24385 7/20 0.39
CCND2 P30279 2/20 0.39
CCND3 P30281 2/20 0.39
AXL P30530 5/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
CCNA2 P20248 5/20 0.38
CDK2 P24941 5/20 0.38
FGFR1 P11362 4/20 0.38
FGFR2 P21802 4/20 0.38
FGFR4 P22455 4/20 0.38
FGFR3 P22607 4/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL14682113 0.91 CDK4 (0.42) CDK4CCND1CCND2CCND3AXL
SCHEMBL15788014 0.86 PAK4 (0.39) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL13553898 0.80 CDK4 (0.41) CDK4CCND1CCND2CCND3USP2
SCHEMBL15785232 0.79 CDK4 (0.40) CDK4CCND1CCND2CCND3AXL
SCHEMBL15036123 0.78 CDK4 (0.43) CDK4CCND1CCND2CCND3AXL
SCHEMBL15785357 0.77 TNK2 (0.41) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL13553764 0.75 CDK4 (0.41) CDK4CCND1CCND2CCND3AXL
SCHEMBL15036063 0.74 CDK4 (0.41) CDK4CCND1CCND2CCND3AXL
SCHEMBL13553699 0.73 CDK4 (0.45) CDK4CCND1CCND2CCND3CCNA2
SCHEMBL14682014 0.73 JAK2 (0.49) CDK4CCND1CCND2CCND3CCNA2

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 2153/4885CCND2 2332/4885

“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.