SCHEMBL15034864

SCHEMBL15034864

C=C(c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2cnnn2C2CCOCC2)c1=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.52
CCND1 P24385 19/20 0.52
CCNA2 P20248 12/20 0.52
CDK2 P24941 12/20 0.52
FGFR1 P11362 10/20 0.52
FGFR2 P21802 10/20 0.52
FGFR4 P22455 10/20 0.52
FGFR3 P22607 10/20 0.52
CCND2 P30279 5/20 0.46
CCND3 P30281 5/20 0.46
CCNA1 P78396 2/20 0.46
CDK6 Q00534 1/20 0.44
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43

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
SCHEMBL15041747 0.93 CDK4 (0.55) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035067 0.83 CDK4 (0.51) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15034810 0.80 FGFR1 (0.43) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15034988 0.78 CDK4 (0.51) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035734 0.77 CDK4 (0.48) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035033 0.76 TNK2 (0.44) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041257 0.76 CDK4 (0.53) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035840 0.75 CDK4 (0.46) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15035928 0.74 FGFR4 (0.49) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15280223 0.74 CDK4 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 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 (2 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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 CDK4 408/4885CCND1 3984/4885CCNA2 2279/4885
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.