SCHEMBL21074248

SCHEMBL21074248

Nc1cnc(-c2cccc(S(N)(=O)=O)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.53
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA9 Q16790 6/20 0.47
CA12 O43570 3/20 0.47
CA4 P22748 2/20 0.47
CA14 Q9ULX7 1/20 0.47
TTK P33981 2/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 2/20 0.47
ALOX5AP P20292 4/20 0.46
FEN1 P39748 4/20 0.46
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL29709318 1.00 CDK8 (0.53) CDK8IKBKBCHUKCA1CA2
SCHEMBL14075570 0.78 IKBKB (0.56) CDK8IKBKBCHUKCA1CA2
SCHEMBL14075574 0.78 ASIC3 (0.55) CDK8IKBKBCHUKCA1CA2
SCHEMBL21823910 0.77 LOXL2 (0.52) CDK8IKBKBCHUKCA1CA2
SCHEMBL15308592 0.77 TYRO3 (0.50) CDK8CA1CA2CA9CA12
SCHEMBL16628998 0.77 ATR (0.49) CDK8IKBKBCHUKCA1CA2
SCHEMBL19309232 0.76 PIK3CD (0.48) CDK8CA1CA2CA9CA12
SCHEMBL28196773 0.76 NPC1 (0.61) CDK8CA1CA2CA9CA12
SCHEMBL24668679 0.75 CA1 (0.49) CDK8IKBKBCHUKCA1CA2
SCHEMBL14075571 0.74 KAT6A (0.53) CDK8IKBKBCHUKCA1CA2

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-20200331903-A1 3-(5-AMINO-PYRAZIN-2-YL)-BENZENESULFONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PI3K-GAMMA KINASE INHIBITORS FOR TREATING E.G. CANCER INCYTE CORPORATION 2020-10-22 US disclosed
WO-2019126505-A1 3-(5-AMINO-PYRAZIN-2-YL)-BENZENESULFONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PI3K-GAMMA KINASE INHIBITORS FOR TREATING E.G. CANCER INCYTE CORPORATION (US) 2019-06-27 WO 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 (1 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-20200331903-A1 3-(5-AMINO-PYRAZIN-2-YL)-BENZENESULFONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PI3K-GAMMA KINASE INHIBITORS FOR TREATING E.G. CANCER PIK3CG, PIK3R5, PIK3CD CDK8 345/4885IKBKB 76/4885CHUK 25/4885

“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.