SCHEMBL13554121

SCHEMBL13554121

CCn1c(=O)c(-c2ccc(-c3nnco3)cc2Cl)cc2cnc(Nc3ccc(C4CNCCO4)cc3)nc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 4/20 0.54
PAK4 O96013 3/20 0.54
PAK1 Q13153 7/20 0.49
PAK2 Q13177 5/20 0.49
PAK3 O75914 3/20 0.49
LIMK1 P53667 1/20 0.49
LIMK2 P53671 1/20 0.49
EGFR P00533 2/20 0.45
FGFR1 P11362 2/20 0.45

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
SCHEMBL13554099 0.89 PKN1 (0.59) PKN1PAK4PAK1PAK2PAK3
SCHEMBL13554102 0.88 PKN1 (0.63) PKN1PAK4PAK1PAK2PAK3
SCHEMBL12807689 0.88 PKN1 (0.56) PKN1PAK4PAK1PAK2PAK3
SCHEMBL13554116 0.88 PKN1 (0.60) PKN1PAK4PAK1PAK2PAK3
SCHEMBL13554120 0.88 PKN1 (0.61) PKN1PAK4PAK1PAK2PAK3
SCHEMBL13554002 0.87 PKN1 (0.54) PKN1PAK4PAK1PAK2PAK3
SCHEMBL13554112 0.87 PKN1 (0.55) PKN1PAK4PAK1PAK2PAK3
SCHEMBL13553548 0.87 PKN1 (0.59) PKN1PAK4PAK1PAK2PAK3
SCHEMBL13553513 0.86 PKN1 (0.54) PKN1PAK4PAK1PAK2PAK3
SCHEMBL13554111 0.86 PKN1 (0.54) 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 6 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
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
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 (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-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

“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.