SCHEMBL15036342

SCHEMBL15036342

O=c1c(C#COc2ccccc2F)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1Cc1sccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.38
FLT3 P36888 2/20 0.37
PTK2 Q05397 3/20 0.34
TNK2 Q07912 1/20 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
SCHEMBL15617463 0.92 CHEK1 (0.39) CHEK1PTK2TNK2
SCHEMBL15036413 0.80 TNK2 (0.34) CHEK1TNK2
SCHEMBL15036478 0.77 CDK4 (0.37) CHEK1FLT3
SCHEMBL15036381 0.76 PTK2 (0.38) PTK2TNK2
SCHEMBL10192632 0.76 CDK4 (0.46) FLT3PTK2
SCHEMBL15041550 0.74 PTK2 (0.51) PTK2TNK2
SCHEMBL15036432 0.74 TNK2 (0.39) FLT3TNK2
SCHEMBL15036273 0.73 CDK4 (0.35) CHEK1FLT3TNK2
SCHEMBL15617452 0.73 CDK4 (0.35) CHEK1FLT3PTK2TNK2
SCHEMBL15618075 0.73 MAPK14 (0.35) FLT3TNK2

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-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 CHEK1 460/4885FLT3 661/4885PTK2 80/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CHEK1 212/4885FLT3 811/4885PTK2 12/4885

“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.