SCHEMBL15036070

SCHEMBL15036070

Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCN(C)C5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)c([S+]([O-])C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.40
PKN1 Q16512 2/20 0.40
TNK2 Q07912 14/20 0.39
JAK3 P52333 3/20 0.39
PAK1 Q13153 1/20 0.39
ABL1 P00519 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL13553778 0.81 PAK4 (0.40) PAK4PKN1TNK2JAK3PAK1
SCHEMBL15041860 0.75 TNK2 (0.39) TNK2SRC
SCHEMBL13553877 0.74 PKN1 (0.52) PAK4PKN1TNK2PAK1ABL1
SCHEMBL15787963 0.74 TNK2 (0.43) PAK4PKN1TNK2JAK3PAK1
SCHEMBL15036038 0.74 PAK4 (0.47) PAK4PKN1TNK2JAK3PAK1
SCHEMBL15036118 0.74 SRC (0.45) PAK4PKN1TNK2PAK1ABL1
SCHEMBL15041532 0.74 TNK2 (0.43) PAK4PKN1TNK2PAK1
SCHEMBL14682011 0.72 PAK4 (0.47) PAK4PKN1TNK2JAK3PAK1
SCHEMBL15785286 0.72 PAK4 (0.48) PAK4PKN1TNK2JAK3PAK1
SCHEMBL15787829 0.72 PKN1 (0.56) PAK4PKN1TNK2JAK3PAK1

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-20130252966-A1 6-(SULFONYLARYL)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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 PAK4 5/4885PKN1 534/4885TNK2 14/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PAK4 5/4885PKN1 326/4885TNK2 7/4885

“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.