SCHEMBL15035604

SCHEMBL15035604

C[S+]([O-])c1ccccc1Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 2/20 0.66
PAK3 O75914 1/20 0.66
PAK4 O96013 1/20 0.66
LIMK1 P53667 1/20 0.66
LIMK2 P53671 1/20 0.66
PAK2 Q13177 1/20 0.66
PKN1 Q16512 1/20 0.66
TNK2 Q07912 13/20 0.51
WEE1 P30291 1/20 0.48
SRC P12931 1/20 0.46
JAK2 O60674 2/20 0.46
BRD4 O60885 2/20 0.46
JAK1 P23458 1/20 0.44
BRD2 P25440 1/20 0.44
JAK3 P52333 1/20 0.44
BRD3 Q15059 1/20 0.44
BRDT Q58F21 1/20 0.44
CCNT1 O60563 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44

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
SCHEMBL15035609 0.88 PAK3 (0.66) PAK1PAK3PAK4LIMK1LIMK2
SCHEMBL15041587 0.87 PAK3 (0.54) PAK1PAK3PAK4LIMK1LIMK2
SCHEMBL15035597 0.87 PAK3 (0.54) PAK1PAK3PAK4LIMK1LIMK2
SCHEMBL15035608 0.87 PAK3 (0.54) PAK1PAK3PAK4LIMK1LIMK2
SCHEMBL15035592 0.87 PAK3 (0.53) PAK1PAK3PAK4LIMK1LIMK2
SCHEMBL15041368 0.87 PAK3 (0.54) PAK1PAK3PAK4LIMK1LIMK2
SCHEMBL15035594 0.86 PAK3 (0.52) PAK1PAK3PAK4LIMK1LIMK2
SCHEMBL15035607 0.86 PAK3 (0.52) PAK1PAK3PAK4LIMK1LIMK2
SCHEMBL16511836 0.86 PAK3 (0.58) PAK1PAK3PAK4LIMK1LIMK2
SCHEMBL15277125 0.85 PAK3 (0.51) PAK1PAK3PAK4LIMK1LIMK2

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 4 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-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
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 PAK1 6/4885PAK3 2/4885PAK4 5/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK1 4/4885PAK3 6/4885PAK4 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.