SCHEMBL15041732

SCHEMBL15041732

C#Cc1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2ccncc2-c2ccncc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.39
EGFR P00533 3/20 0.39
CDK4 P11802 6/20 0.38
CDK6 Q00534 4/20 0.38
CCND1 P24385 2/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
SRC P12931 1/20 0.36
WEE1 P30291 2/20 0.33
CCNA2 P20248 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
CDK2 P24941 1/20 0.33
RIPK2 O43353 1/20 0.33
ACVR1 Q04771 1/20 0.33
NOD2 Q9HC29 1/20 0.33
JAK3 P52333 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL15036315 0.94 FGFR1 (0.40) FGFR1EGFRCDK4CDK6CCND1
SCHEMBL15035073 0.81 CDK4 (0.39) FGFR1EGFRCDK4CDK6CCND1
SCHEMBL15034962 0.80 CDK4 (0.36) FGFR1EGFRCDK4CDK6CCND1
SCHEMBL15034855 0.79 CDK4 (0.37) FGFR1EGFRCDK4CDK6CCND1
SCHEMBL15035843 0.79 CDK4 (0.38) CDK4CDK6WEE1RIPK2JAK3
SCHEMBL15035723 0.79 CDK4 (0.39) FGFR1CDK4CDK6CCND1CCND2
SCHEMBL15036199 0.77 CDK4 (0.42) FGFR1EGFRCDK4CDK6CCND1
SCHEMBL15041546 0.77 WEE1 (0.41) FGFR1EGFRCDK4CDK6CCND1
SCHEMBL15035931 0.76 CDK4 (0.36) CDK4CDK6CCND1WEE1CCNA2
SCHEMBL15036457 0.76 CDK4 (0.40) FGFR1EGFRCDK4CDK6CCND1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 US disclosed
US-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 US disclosed
US-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-19 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-20130245012-A1 6-(ETHYNYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 FGFR1 2580/4885EGFR 1698/4885CDK4 397/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 FGFR1 1919/4885EGFR 737/4885CDK4 404/4885

“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.