SCHEMBL10127249

SCHEMBL10127249

CSc1nc(Nc2cc(Cl)ccn2)c(C(N)=O)c(OC(C)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.35
PPARG P37231 2/20 0.34
FGFR4 P22455 1/20 0.33
ZAP70 P43403 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
GSK3A P49840 1/20 0.32
MAPK10 P53779 1/20 0.32
RIOK2 Q9BVS4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
GRM4 Q14833 1/20 0.32
MAPT P10636 1/20 0.31
MAPK3 P27361 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL10127252 0.87 ZAP70 (0.37) GAAHTTPPARGZAP70KMT2A
SCHEMBL10127225 0.85 PPARG (0.40) GAAHPGDPPARGFGFR4ZAP70
SCHEMBL13070939 0.81 TNF (0.39) PPARGZAP70ALDH1A1MAPT
SCHEMBL10127179 0.80 SMN1; SMN2 (0.38) GAAHPGDHTTPPARGKMT2A
SCHEMBL10127194 0.80 GAA (0.37) GAAHPGDHTTPPARGZAP70
SCHEMBL10127132 0.76 SYK (0.38) HTTPPARGZAP70KMT2AMEN1
SCHEMBL10127247 0.76 KMT2A (0.41) PPARGKMT2A
SCHEMBL282425 0.75 TNF (0.42) HPGDPPARGSMN1; SMN2ALDH1A1RAB9A
SCHEMBL10127241 0.75 KIT (0.35) HTTZAP70MAPK10
SCHEMBL10127167 0.74 NTRK1 (0.38) HTTPPARGKMT2AMEN1SMN1; SMN2

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 GAA 3821/4885HPGD 4520/4885HTT 3739/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 GAA 3821/4885HPGD 4520/4885HTT 3739/4885

“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.