SCHEMBL15041590

SCHEMBL15041590

Cc1ncsc1-c1cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n(Cc2ccccc2S(C)(=O)=O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK3 O75914 1/20 0.54
PAK4 O96013 1/20 0.54
LIMK1 P53667 1/20 0.54
LIMK2 P53671 1/20 0.54
PAK1 Q13153 1/20 0.54
PAK2 Q13177 1/20 0.54
PKN1 Q16512 1/20 0.54
JAK2 O60674 6/20 0.47
BRD4 O60885 6/20 0.47
JAK1 P23458 3/20 0.47
BRD2 P25440 3/20 0.47
JAK3 P52333 3/20 0.47
BRD3 Q15059 3/20 0.47
BRDT Q58F21 3/20 0.47
CDK4 P11802 6/20 0.42
CCND1 P24385 4/20 0.42
CDK6 Q00534 3/20 0.42
CCNT1 O60563 1/20 0.42
CCND3 P30281 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL15041367 0.92 PAK3 (0.54) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035610 0.91 PAK3 (0.54) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041587 0.88 PAK3 (0.54) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035609 0.87 PAK3 (0.66) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035596 0.87 PAK3 (0.54) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035593 0.85 PAK3 (0.53) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041199 0.85 PAK3 (0.54) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15035611 0.85 PAK3 (0.52) PAK3PAK4LIMK1LIMK2PAK1
SCHEMBL15041589 0.84 JAK2 (0.45) PAK4PKN1JAK2BRD4JAK1
SCHEMBL16511952 0.84 PAK3 (0.57) PAK3PAK4LIMK1LIMK2PAK1

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 PAK3 2/4885PAK4 5/4885LIMK1 947/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK3 6/4885PAK4 5/4885LIMK1 105/4885

“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.