Sugi Predict

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SCHEMBL10127167

SCHEMBL10127167

CSc1nc(Nc2cccnc2-c2ccccc2)c(C(N)=O)c(OC(C)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 4/20 0.38
▸ PPARG P37231 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ RXFP1 Q9HBX9 3/20 0.35
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ ALOX5 P09917 1/20 0.33

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
SCHEMBL10127179 0.85 SMN1; SMN2 (0.38) PPARGPOLBHSD17B10MAPTHTT
SCHEMBL10127156 0.84 PPARG (0.43) NTRK1PPARGPOLBPDE4BHSD17B10
SCHEMBL10127214 0.82 GSK3A (0.39) PPARGPDE4BMAPT
SCHEMBL328299 0.79 PDE4B (0.41) NTRK1PPARGPDE4BMAPTRXFP1
SCHEMBL10127247 0.77 KMT2A (0.41) NTRK1PPARGKMT2A
SCHEMBL10127174 0.75 PPARG (0.42) NTRK1PPARGPOLBPDE4BHSD17B10
SCHEMBL10127132 0.75 SYK (0.38) PPARGPDE4BHSD17B10MAPTHTT
SCHEMBL10127249 0.74 GAA (0.36) PPARGMAPTHTTSMN1; SMN2MEN1
SCHEMBL282425 0.74 TNF (0.42) PPARGPOLBHSD17B10MAPTSMN1; SMN2
SCHEMBL10156034 0.74 LTA4H (0.40) PPARGPDE4BMAPTHTTMEN1

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 9 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
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 NTRK1 521/4885PPARG 2536/4885POLB 4590/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 NTRK1 521/4885PPARG 2536/4885POLB 4590/4885

“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.