Sugi Predict

Sugi Predict / Compounds / SCHEMBL328295

SCHEMBL328295

SCHEMBL328295

CSc1nc(Cl)c(C(N)=O)c(Nc2ccc(S(C)(=O)=O)c(Cl)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA7 P43166 3/20 0.44
▸ CA13 Q8N1Q1 2/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PPARG P37231 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ BCL6 P41182 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL10126533 0.92 CA1 (0.44) CA1CA2CA7CA13GRM4
SCHEMBL10127026 0.84 CA1 (0.56) CA1CA2CA7CA13MEN1
SCHEMBL282561 0.83 ALK (0.46) CA1CA2CA7CA13MEN1
SCHEMBL10126491 0.83 CA1 (0.41) CA1CA2CA7CA13MEN1
SCHEMBL10126479 0.81 PPARG (0.41) CA1CA2CA7CA13MEN1
SCHEMBL10126528 0.81 MAPT (0.43) CA1CA2CA7MAPT
SCHEMBL10127164 0.81 GRM4 (0.43) GRM4MEN1KMT2AMAPTPDE4B
SCHEMBL10156674 0.80 CA1 (0.40) CA1CA2CA7CA13GRM4
SCHEMBL10127090 0.79 CA1 (0.48) CA1CA2CA7CA13MEN1
SCHEMBL10157036 0.79 PPARG (0.41) CA1CA2CA7CA13MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 — — US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 — — US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 — — US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 — — US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 — — US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 — — US disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 — — EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 — — US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 — — US disclosed
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 — — 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 (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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 CA1 2814/4885CA2 1945/4885CA7 2233/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 CA1 2814/4885CA2 1945/4885CA7 2233/4885

“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.