SCHEMBL10156543

SCHEMBL10156543

CNC(=O)c1ccc(Nc2nc(SC)[nH]c(=O)c2C(N)=O)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
KLK7 P49862 1/20 0.38
ZAP70 P43403 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK1A Q13627 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36

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
SCHEMBL10126587 0.87 XDH (0.39) SYKGFER
SCHEMBL10126474 0.86 XDH (0.43) SYKSMN1; SMN2MAPTGFER
SCHEMBL10156468 0.85 XDH (0.39) SYKPOLBGAAGFER
SCHEMBL10156479 0.84 XDH (0.41) GFER
SCHEMBL10156488 0.84 XDH (0.41) SYKGFER
SCHEMBL10155939 0.84 XDH (0.39) POLBMAPK9PTK2GFER
SCHEMBL16305320 0.84 HPGD (0.49) SYKL3MBTL1SMN1; SMN2MAPTKDM4E
SCHEMBL16305325 0.83 SYK (0.38) SYKGAAMAPK8MAPK9KLK7
SCHEMBL17340304 0.82 SYK (0.37) SYKGAAMAPK8MAPK9KLK7
SCHEMBL282772 0.80 GFER (0.43) GFEREGFR

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-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-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

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 SYK 2200/4885POLB 4590/4885GAA 3821/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885POLB 4590/4885GAA 3821/4885

“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.