SCHEMBL15035902

SCHEMBL15035902

Cc1scnc1-c1cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2n(Cc2ccccc2[S+]([O-])c2nccs2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.37
BRD4 O60885 3/20 0.37
JAK1 P23458 1/20 0.37
BRD2 P25440 1/20 0.37
JAK3 P52333 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
PTK2 Q05397 1/20 0.36
TNK2 Q07912 10/20 0.35
PAK4 O96013 1/20 0.35
PKN1 Q16512 1/20 0.35
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL15035649 0.80 PRKCZ (0.33) TNK2PAK4PKN1
SCHEMBL15041826 0.80 JAK2 (0.46) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15035037 0.79 PAK4 (0.38) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15035740 0.79 RIPK2 (0.43) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15034932 0.79 PAK4 (0.42) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15035689 0.79 RIPK2 (0.39) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15034821 0.78 PAK4 (0.39) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15035728 0.77 PKN1 (0.34) PTK2TNK2PAK4PKN1FGFR1
SCHEMBL15034844 0.77 FGFR1 (0.35) JAK2BRD4JAK1BRD2JAK3
SCHEMBL15237005 0.77 JAK2 (0.36) JAK2BRD4JAK1BRD2JAK3

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 JAK2 227/4885BRD4 711/4885JAK1 645/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK2 720/4885BRD4 1003/4885JAK1 1718/4885

“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.