SCHEMBL13554109

SCHEMBL13554109

CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 5/20 0.63
PAK4 O96013 4/20 0.63
PAK1 Q13153 8/20 0.54
PAK2 Q13177 4/20 0.54
PAK3 O75914 3/20 0.54
LIMK1 P53667 1/20 0.54
LIMK2 P53671 1/20 0.54
FGFR1 P11362 4/20 0.53
EGFR P00533 2/20 0.53
STK4 Q13043 2/20 0.51
STK3 Q13188 2/20 0.51
SIK2 Q9H0K1 2/20 0.51
STK26 Q9P289 2/20 0.51
STK24 Q9Y6E0 2/20 0.51
ACVR1 Q04771 1/20 0.50
WEE1 P30291 1/20 0.48
FGFR4 P22455 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL14824678 0.96 PKN1 (0.60) PKN1PAK4PAK1PAK2PAK3
SCHEMBL12807687 0.93 PKN1 (0.64) PKN1PAK4PAK1PAK2PAK3
SCHEMBL13554085 0.92 PKN1 (0.59) PKN1PAK4PAK1PAK2PAK3
SCHEMBL14824673 0.92 PKN1 (0.74) PKN1PAK4PAK1PAK2PAK3
SCHEMBL14824803 0.92 PKN1 (0.66) PKN1PAK4PAK1PAK2PAK3
SCHEMBL15030456 0.92 PKN1 (0.66) PKN1PAK4PAK1PAK2PAK3
SCHEMBL15035199 0.91 PKN1 (0.65) PKN1PAK4PAK1PAK2PAK3
SCHEMBL13554122 0.91 PKN1 (0.68) PKN1PAK4PAK1PAK2PAK3
SCHEMBL14824728 0.90 PKN1 (0.63) PKN1PAK4PAK1PAK2PAK3
SCHEMBL14824798 0.90 PKN1 (0.65) PKN1PAK4PAK1PAK2PAK3

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
WO-2013043232-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS, INC. (US) 2013-03-28 WO 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-20120270866-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS INC. (US) 2012-10-25 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 (4 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-20120270866-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-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.