SCHEMBL15035652

SCHEMBL15035652

CC1=C(c2cc3cnc(Nc4ccc(C5CCCNC5)cc4)nc3n(Cc3scnc3S(=O)(=O)c3ccccc3)c2=O)CCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
PAK4 O96013 1/20 0.36
PKN1 Q16512 1/20 0.36
RIPK2 O43353 5/20 0.36
NOD2 Q9HC29 5/20 0.36
ACVR1 Q04771 4/20 0.36
TNK2 Q07912 4/20 0.36
JAK2 O60674 2/20 0.35
BRD4 O60885 2/20 0.35
JAK1 P23458 1/20 0.35
BRD2 P25440 1/20 0.35
JAK3 P52333 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
PTK2 Q05397 1/20 0.35
PLK2 Q9NYY3 1/20 0.35

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
SCHEMBL15035728 0.80 PKN1 (0.34) FGFR1PAK4PKN1TNK2PTK2
SCHEMBL15034893 0.80 PAK4 (0.38) FGFR1PAK4PKN1TNK2
SCHEMBL15035740 0.79 RIPK2 (0.43) EGFRFGFR1PAK4PKN1RIPK2
SCHEMBL15034973 0.79 PAK4 (0.39) FGFR1PAK4PKN1TNK2JAK2
SCHEMBL15034783 0.78 PAK4 (0.39) FGFR1PAK4PKN1JAK2BRD4
SCHEMBL15035871 0.78 CSF1R (0.35) FGFR1PAK4PKN1RIPK2NOD2
SCHEMBL15034912 0.78 RIPK2 (0.36) FGFR1RIPK2NOD2ACVR1TNK2
SCHEMBL15035806 0.74 RIPK2 (0.40) EGFRFGFR1RIPK2NOD2ACVR1
SCHEMBL15035414 0.74 CDK4 (0.38) FGFR1PAK4PKN1PTK2
SCHEMBL15035516 0.74 CDK4 (0.38) FGFR1TNK2PTK2

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 EGFR 2509/4885FGFR1 2209/4885PAK4 5/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 EGFR 737/4885FGFR1 1919/4885PAK4 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.