SCHEMBL15035644

SCHEMBL15035644

Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCCNC5)cc4)nc3n(Cc3ocnc3[S+]([O-])c3ccccc3)c2=O)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 12/20 0.43
PAK1 Q13153 3/20 0.40
PAK4 O96013 3/20 0.40
PKN1 Q16512 3/20 0.40
PAK2 Q13177 2/20 0.40
PAK3 O75914 1/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
EGFR P00533 1/20 0.38
FGFR1 P11362 1/20 0.38
RIPK2 O43353 1/20 0.38
NOD2 Q9HC29 1/20 0.38
STK4 Q13043 2/20 0.38
STK3 Q13188 2/20 0.38
SIK2 Q9H0K1 2/20 0.38
STK26 Q9P289 2/20 0.38
STK24 Q9Y6E0 2/20 0.38

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
SCHEMBL15035895 0.85 TNK2 (0.42) TNK2PAK1PAK4PKN1PAK2
SCHEMBL15034773 0.78 TNK2 (0.44) TNK2PAK1PAK4PKN1PAK2
SCHEMBL15035009 0.78 TNK2 (0.46) TNK2PAK1PAK4PKN1PAK2
SCHEMBL15034883 0.78 TNK2 (0.42) TNK2PAK1PAK4PKN1PAK2
SCHEMBL15035684 0.77 PAK1 (0.41) TNK2PAK1PAK4PKN1PAK2
SCHEMBL15035886 0.75 CDK4 (0.34) TNK2EGFRFGFR1RIPK2NOD2
SCHEMBL15035722 0.75 TNK2 (0.41) TNK2PAK1PAK4PKN1PAK2
SCHEMBL15035407 0.74 TNK2 (0.42) TNK2PAK1PAK4PKN1PAK2
SCHEMBL15035861 0.74 PAK1 (0.41) TNK2PAK1PAK4PKN1PAK2
SCHEMBL15035291 0.74 RIPK2 (0.42) TNK2PAK1PAK4PKN1PAK2

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 TNK2 28/4885PAK1 6/4885PAK4 5/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 TNK2 7/4885PAK1 4/4885PAK4 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.