SCHEMBL14682016

SCHEMBL14682016

CCn1c(=O)c(-c2ccccc2-c2cncs2)cc2cnc(Nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)c(F)c3)nc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.54
PAK3 O75914 3/20 0.54
PAK2 Q13177 3/20 0.54
PKN1 Q16512 3/20 0.54
PAK4 O96013 2/20 0.54
LIMK1 P53667 1/20 0.54
LIMK2 P53671 1/20 0.54
FGFR1 P11362 3/20 0.46
FGFR4 P22455 1/20 0.46
KDR P35968 1/20 0.46
TNK2 Q07912 8/20 0.44
EGFR P00533 2/20 0.43
WEE1 P30291 1/20 0.43
RIPK2 O43353 1/20 0.40
ACVR1 Q04771 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL13553704 0.89 PAK1 (0.69) PAK1PAK3PAK2PKN1PAK4
SCHEMBL13553868 0.79 PAK4 (0.57) PAK1PAK3PAK2PKN1PAK4
SCHEMBL14681932 0.78 PAK1 (0.78) PAK1PAK3PAK2PKN1PAK4
SCHEMBL15785354 0.78 PAK4 (0.57) PAK1PAK3PAK2PKN1PAK4
SCHEMBL14824806 0.77 PAK1 (0.81) PAK1PAK3PAK2PKN1PAK4
SCHEMBL15030339 0.77 PAK1 (0.72) PAK1PAK3PAK2PKN1PAK4
SCHEMBL15237030 0.77 TNK2 (0.48) PAK1PAK3PAK2PKN1PAK4
SCHEMBL15035693 0.76 TNK2 (0.47) PAK1PAK3PAK2PKN1PAK4
SCHEMBL15041679 0.76 PKN1 (0.51) PAK1PAK3PAK2PKN1PAK4
SCHEMBL15030444 0.76 PAK1 (0.69) PAK1PAK3PAK2PKN1PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 US disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 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
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 (3 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 PAK1 5/4885PAK3 4/4885PAK2 1/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK1 4/4885PAK3 6/4885PAK2 2/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 PAK1 2/4885PAK3 4/4885PAK2 1/4885

“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.