SCHEMBL15036293

SCHEMBL15036293

O=c1c(C#CC2CC2)cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n1C1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.49
CCND1 P24385 16/20 0.49
CCNA2 P20248 14/20 0.49
CDK2 P24941 14/20 0.49
FGFR1 P11362 11/20 0.49
FGFR2 P21802 10/20 0.49
FGFR4 P22455 10/20 0.49
FGFR3 P22607 10/20 0.49
CCNE1 P24864 3/20 0.48
NUAK1 O60285 3/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CDK6 Q00534 2/20 0.48
PIK3CD O00329 1/20 0.48
PRKAB2 O43741 1/20 0.48
CCNT1 O60563 1/20 0.48
ABL1 P00519 1/20 0.48
FYN P06241 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48

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
SCHEMBL15036490 0.82 CDK4 (0.53) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036189 0.81 CDK4 (0.55) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036195 0.81 CDK4 (0.58) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL14682107 0.79 CDK4 (0.50) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL29507861 0.79 CDK4 (0.66) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL22860474 0.79 CDK4 (0.66) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15617437 0.78 CDK4 (0.57) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036192 0.77 CDK4 (0.52) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036228 0.76 CDK2 (0.52) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15036254 0.74 CDK4 (0.69) 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.