SCHEMBL14682005

SCHEMBL14682005

CN1CCOC(c2ccc(Nc3ncc4cc(-c5ccc(C6CCN(S(C)(=O)=O)CC6)cc5C(F)(F)F)c(=O)n(CC5CC5)c4n3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 16/20 0.48
PAK4 O96013 2/20 0.45
PKN1 Q16512 2/20 0.45
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK6 Q00534 1/20 0.40
PAK1 Q13153 1/20 0.39
PTK2 Q05397 1/20 0.38

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
SCHEMBL13553678 0.92 TNK2 (0.48) TNK2PAK4PKN1PAK1PTK2
SCHEMBL15035103 0.90 TNK2 (0.47) TNK2PAK4PKN1PAK1
SCHEMBL15281608 0.80 PKN1 (0.47) TNK2PAK4PKN1PAK1
SCHEMBL15036057 0.80 TNK2 (0.47) TNK2PAK4PKN1CDK2PAK1
SCHEMBL13553532 0.78 PKN1 (0.66) TNK2PAK4PKN1PAK1
SCHEMBL15785331 0.77 TNK2 (0.46) TNK2PAK4PKN1PAK1PTK2
SCHEMBL14684876 0.76 PAK4 (0.48) PAK4PKN1PTK2
SCHEMBL14681985 0.76 PKN1 (0.47) TNK2PAK4PKN1PAK1
SCHEMBL13553645 0.76 PAK4 (0.47) TNK2PAK4PKN1PAK1
SCHEMBL14684856 0.75 PAK1 (0.66) TNK2PAK4PKN1CCND1CCNE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372970-B2 8-ethyl-6-(aryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS, INC. (US) 2013-02-12 US disclosed
US-8372970-B2 8-ethyl-6-(aryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS, INC. (US) 2013-02-12 US disclosed
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 US disclosed
US-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-02-07 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 (1 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-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 TNK2 8/4885PAK4 6/4885PKN1 528/4885

“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.