SCHEMBL14682020

SCHEMBL14682020

CN1CCSC(c2ccc(Nc3ncc4cc(-c5ccc(-c6nnn(C)n6)cc5Cl)c(=O)n(CC(=O)N5CCCC5)c4n3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 5/20 0.51
PAK4 O96013 4/20 0.51
PAK1 Q13153 5/20 0.47
PAK2 Q13177 4/20 0.47
PAK3 O75914 3/20 0.47
STK4 Q13043 5/20 0.42
STK3 Q13188 5/20 0.42
SIK2 Q9H0K1 5/20 0.42
STK26 Q9P289 5/20 0.42
STK24 Q9Y6E0 5/20 0.42
ABL1 P00519 1/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
MAPK14 Q16539 1/20 0.41
WEE1 P30291 1/20 0.41
TNK2 Q07912 6/20 0.39
LIMK1 P53667 1/20 0.38
LIMK2 P53671 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
SCHEMBL13553709 0.89 PKN1 (0.57) PKN1PAK4PAK1PAK2PAK3
SCHEMBL15041673 0.80 TNK2 (0.42) PKN1PAK4ABL1PDGFRBKIT
SCHEMBL13554015 0.77 PAK1 (0.59) PKN1PAK4PAK1PAK2PAK3
Hydrochloric Acid SCHEMBL1681161 0.77 PAK1 (0.58) PKN1PAK4PAK1PAK2PAK3
SCHEMBL13553877 0.74 PKN1 (0.52) PKN1PAK4PAK1PAK2PAK3
SCHEMBL15036038 0.71 PAK4 (0.47) PKN1PAK4PAK1ABL1PDGFRB
SCHEMBL15281616 0.70 WEE1 (0.46) PKN1PAK4PAK1ABL1PDGFRB
SCHEMBL15785356 0.69 PAK1 (0.49) PKN1PAK4PAK1PAK2PAK3
SCHEMBL15785286 0.69 PAK4 (0.48) PKN1PAK4PAK1WEE1TNK2
SCHEMBL14682011 0.69 PAK4 (0.47) PKN1PAK4PAK1WEE1TNK2

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-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-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 PKN1 528/4885PAK4 6/4885PAK1 5/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PKN1 326/4885PAK4 5/4885PAK1 4/4885
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 PKN1 182/4885PAK4 5/4885PAK1 2/4885

“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.