SCHEMBL14682002

SCHEMBL14682002

CN1CCCC(Nc2ccc(Nc3ncc4cc(-c5nc(C6CCCC6)cn5C)c(=O)n(Cc5nccs5)c4n3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 14/20 0.38
WEE1 P30291 1/20 0.38
PKN1 Q16512 3/20 0.37
PAK1 Q13153 3/20 0.37
PAK4 O96013 2/20 0.37
FGFR1 P11362 1/20 0.37
PAK3 O75914 2/20 0.37
PAK2 Q13177 2/20 0.37

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
SCHEMBL15787981 0.93 PKN1 (0.41) TNK2WEE1PKN1PAK1PAK4
SCHEMBL13553675 0.85 WEE1 (0.37) TNK2WEE1PKN1PAK1PAK4
SCHEMBL13553931 0.82 PKN1 (0.43) TNK2PKN1PAK1PAK4PAK3
SCHEMBL15788013 0.81 TNK2 (0.42) TNK2WEE1PKN1PAK1PAK3
SCHEMBL15041849 0.79 TNK2 (0.40) TNK2WEE1PKN1PAK1PAK4
SCHEMBL15785380 0.78 PAK4 (0.49) TNK2PKN1PAK1PAK4
SCHEMBL15041483 0.76 TNK2 (0.42) TNK2PKN1PAK4
SCHEMBL15785222 0.74 TNK2 (0.44) TNK2PKN1PAK4
SCHEMBL15041716 0.74 TNK2 (0.42) TNK2PKN1PAK4
SCHEMBL15036054 0.73 PKN1 (0.45) TNK2WEE1PKN1PAK1PAK4

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-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
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 (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-20130035335-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK5 TNK2 8/4885WEE1 850/4885PKN1 528/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885WEE1 545/4885PKN1 326/4885

“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.