SCHEMBL15036265

SCHEMBL15036265

Cc1ccccc1C#Cc1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(CCN(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
CDK4 P11802 7/20 0.39
CCND1 P24385 6/20 0.38
TNK2 Q07912 4/20 0.38
FGFR1 P11362 5/20 0.38
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
FGFR2 P21802 3/20 0.38
FGFR4 P22455 3/20 0.38
FGFR3 P22607 3/20 0.38
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
SRC P12931 3/20 0.36
PTK2 Q05397 1/20 0.36
WEE1 P30291 2/20 0.36
RIPK2 O43353 1/20 0.36
ACVR1 Q04771 1/20 0.36
NOD2 Q9HC29 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36

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
SCHEMBL15258262 0.81 CDK4 (0.37) CDK4CCND1TNK2FGFR1CCNA2
SCHEMBL15041701 0.79 SRC (0.38) EGFRCDK4CCND1TNK2FGFR1
SCHEMBL15787934 0.77 PKN1 (0.47) TNK2FGFR1FGFR4SRCRIPK2
SCHEMBL15785298 0.77 PKN1 (0.47) CDK4TNK2FGFR1FGFR4SRC
SCHEMBL14682039 0.77 SRC (0.47) EGFRTNK2FGFR1FGFR2FGFR4
SCHEMBL13553763 0.77 CDK4 (0.37) EGFRCDK4CCND1FGFR1CCNA2
SCHEMBL15036361 0.77 CDK4 (0.40) EGFRCDK4CCND1TNK2FGFR1
SCHEMBL15617511 0.76 CDK4 (0.37) EGFRCDK4CCND1TNK2FGFR1
SCHEMBL15036233 0.76 CDK4 (0.42) CDK4CCND1FGFR1CCNA2CDK2
SCHEMBL15258236 0.76 CDK4 (0.38) CDK4CCND1FGFR1CCNA2CDK2

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 5 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
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 EGFR 1698/4885CDK4 397/4885CCND1 3936/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 EGFR 737/4885CDK4 404/4885CCND1 2153/4885

“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.