SCHEMBL10157064

SCHEMBL10157064

CNC(=O)c1ccc(Nc2nc(SC)nc(Cl)c2C(N)=O)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
GAA P10253 2/20 0.40
SYK P43405 2/20 0.40
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
HPGD P15428 1/20 0.40
PTK2 Q05397 3/20 0.40
POLB P06746 1/20 0.40
DYRK1A Q13627 1/20 0.39
PPARG P37231 1/20 0.39
PDE4B Q07343 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL10126589 0.88 PPARG (0.41) SYKEGFRKDRPTK2POLB
SCHEMBL10126479 0.88 PPARG (0.41) GAAHPGDPTK2POLBDYRK1A
SCHEMBL10157036 0.86 PPARG (0.41) PPARGMAPTKMT2ASMN1; SMN2
SCHEMBL10156670 0.86 PPARG (0.41) GAAPOLBPPARGNPC1RAB9A
SCHEMBL10157057 0.84 SCN9A (0.43) DYRK1APPARGKMT2A
SCHEMBL10156539 0.83 PTK2 (0.40) LRRK2MAPK9PTK2POLBPPARG
SCHEMBL16305321 0.83 HPGD (0.50) LRRK2HPGDMAPTKMT2ASMN1; SMN2
SCHEMBL10156674 0.83 CA1 (0.40) LRRK2MAPK8MAPK9GAASYK
SCHEMBL16305326 0.80 CSNK2A1 (0.44) PPARG
SCHEMBL10156543 0.80 SYK (0.40) MAPK8MAPK9GAASYKEGFR

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 LRRK2 2413/4885MAPK8 1300/4885MAPK9 580/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 LRRK2 2413/4885MAPK8 1300/4885MAPK9 580/4885

“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.