SCHEMBL15034869

SCHEMBL15034869

O=C(c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(Cc2ccccc2C2=CCCC2)c1=O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 14/20 0.41
CCND1 P24385 14/20 0.41
CCNA2 P20248 11/20 0.41
CDK2 P24941 11/20 0.41
FGFR1 P11362 8/20 0.41
FGFR2 P21802 8/20 0.41
FGFR4 P22455 8/20 0.41
FGFR3 P22607 8/20 0.41
SRC P12931 2/20 0.37
TNK2 Q07912 1/20 0.37
RIPK2 O43353 2/20 0.36
ACVR1 Q04771 2/20 0.36
NOD2 Q9HC29 2/20 0.36
CCND2 P30279 2/20 0.35
CCND3 P30281 2/20 0.35
CCNA1 P78396 1/20 0.35
CAMK2D Q13557 1/20 0.35
ABL1 P00519 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 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
SCHEMBL15041753 0.93 CDK4 (0.40) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15034851 0.87 CDK4 (0.39) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15277126 0.82 PTK2 (0.40) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041219 0.81 CDK4 (0.39) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041350 0.78 CDK4 (0.39) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15034772 0.77 CDK4 (0.39) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041256 0.76 CDK4 (0.37) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041354 0.76 CDK4 (0.46) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041768 0.76 CDK4 (0.38) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041439 0.76 RIPK2 (0.42) 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.