SCHEMBL15036233

SCHEMBL15036233

Cc1ccccc1C#Cc1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(-c2ccncc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 0.42
CCND1 P24385 15/20 0.42
CCNA2 P20248 10/20 0.42
CDK2 P24941 10/20 0.42
FGFR1 P11362 9/20 0.42
FGFR2 P21802 8/20 0.42
FGFR4 P22455 8/20 0.42
FGFR3 P22607 8/20 0.42
CCND2 P30279 5/20 0.38
CCND3 P30281 5/20 0.38
CCNA1 P78396 2/20 0.38
BTK Q06187 1/20 0.38
NUAK1 O60285 2/20 0.38
CDK1 P06493 3/20 0.37
CCNB1 P14635 3/20 0.37
CCNE1 P24864 2/20 0.37
CDK6 Q00534 2/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNB3 Q8WWL7 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
SCHEMBL15036265 0.76 EGFR (0.39) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036387 0.75 BTK (0.57) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036148 0.75 AXL (0.43) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036310 0.75 CDK4 (0.37) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036347 0.75 CDK4 (0.56) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036438 0.74 CDK4 (0.36) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15617470 0.74 CCND1 (0.38) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL13553930 0.73 CDK4 (0.40) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041900 0.71 CDK4 (0.36) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041734 0.71 MAP4K3 (0.39) 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 6 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-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
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 CDK4 397/4885CCND1 3936/4885CCNA2 2624/4885
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.