SCHEMBL15036381

SCHEMBL15036381

O=c1c(C#COc2ccccc2F)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n1Cc1cnncc1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.38
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
WEE1 P30291 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
NTRK1 P04629 3/20 0.35
PAK4 O96013 2/20 0.34
PKN1 Q16512 2/20 0.34
PAK3 O75914 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
PAK1 Q13153 1/20 0.34
PAK2 Q13177 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR4 P22455 1/20 0.34
KDR P35968 1/20 0.34
MAP4K1 Q92918 1/20 0.34
TNK2 Q07912 2/20 0.34

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
SCHEMBL15036209 0.78 PTK2 (0.43) PTK2CDK4CCND1WEE1CCNA2
SCHEMBL15258265 0.77 CDK4 (0.48) CDK4CCND1CCNA2CDK2PAK4
SCHEMBL15041550 0.77 PTK2 (0.51) PTK2WEE1KDRTNK2
SCHEMBL15617463 0.77 CHEK1 (0.39) PTK2TNK2
SCHEMBL15618075 0.77 MAPK14 (0.35) CDK4CCND1CCNA2CDK2NTRK1
SCHEMBL15036483 0.76 MAPK14 (0.35) CDK4CCND1CCNA2CDK2TNK2
SCHEMBL15036342 0.76 CHEK1 (0.38) PTK2TNK2
SCHEMBL15258302 0.75 MAPK14 (0.35) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL16511400 0.75 PTK2 (0.51) PTK2WEE1KDR
SCHEMBL15036250 0.75 PTK2 (0.37) PTK2

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 PTK2 80/4885CDK4 397/4885CCND1 3936/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTK2 12/4885CDK4 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.