SCHEMBL15035758

SCHEMBL15035758

COCC[S+]([O-])c1ccoc1Cn1c(=O)c(-c2ccc(C)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.50
PAK1 Q13153 2/20 0.50
PKN1 Q16512 2/20 0.50
PAK3 O75914 1/20 0.50
LIMK1 P53667 1/20 0.50
LIMK2 P53671 1/20 0.50
PAK2 Q13177 1/20 0.50
TNK2 Q07912 15/20 0.41
WEE1 P30291 3/20 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
SCHEMBL15034870 0.77 PAK4 (0.53) PAK4PAK1PKN1PAK3LIMK1
SCHEMBL16309171 0.77 PAK1 (0.68) PAK4PAK1PKN1PAK3LIMK1
SCHEMBL15041853 0.77 PAK1 (0.68) PAK4PAK1PKN1PAK3LIMK1
SCHEMBL15035844 0.77 PAK4 (0.53) PAK4PAK1PKN1PAK3LIMK1
SCHEMBL15034995 0.76 PAK4 (0.53) PAK4PAK1PKN1PAK3LIMK1
SCHEMBL15041839 0.75 PAK1 (0.68) PAK4PAK1PKN1PAK3LIMK1
SCHEMBL16310838 0.74 PAK1 (0.69) PAK4PAK1PKN1PAK3LIMK1
SCHEMBL15036353 0.73 TNK2 (0.40) PAK4PAK1PKN1PAK3LIMK1
SCHEMBL14684815 0.72 PAK1 (0.67) PAK4PAK1PKN1PAK3LIMK1
SCHEMBL15035388 0.71 PAK3 (0.49) PAK4PAK1PKN1PAK3LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 PAK4 5/4885PAK1 6/4885PKN1 430/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK4 5/4885PAK1 4/4885PKN1 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.