SCHEMBL10127077

SCHEMBL10127077

COc1nc(SC)nc(Nc2cncc(Cl)c2)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
ALPL P05186 1/20 0.34
SYK P43405 1/20 0.34
KARS1 Q15046 1/20 0.34
LRRK2 Q5S007 1/20 0.34
PPARG P37231 2/20 0.33
PDE4B Q07343 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
CSF1R P07333 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL10127041 0.86 CA1 (0.38) ZAP70GAAHPGDPOLBJAK2
SCHEMBL282227 0.77 ZAP70 (0.41) ZAP70GAAPOLBSYKKARS1
SCHEMBL17689748 0.77 ZAP70 (0.41) ZAP70GAAPOLBSYKKARS1
SCHEMBL283672 0.77 EGFR (0.45) ZAP70POLBEGFRHTTPIK3CA
SCHEMBL13071323 0.77 ZAP70 (0.33) ZAP70PPARGPDE4B
SCHEMBL10127243 0.77 ZAP70 (0.33) ZAP70PPARGPDE4B
SCHEMBL282929 0.76 POLB (0.39) ZAP70GAAHPGDPOLBJAK2
SCHEMBL13071322 0.76 CA1 (0.37) ZAP70GAAHPGDPOLBPPARG
SCHEMBL10127221 0.76 CA1 (0.37) ZAP70GAAHPGDPOLBPPARG
SCHEMBL10127080 0.75 GFER (0.43) ZAP70JAK2JAK1SYK

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 8 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

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 ZAP70 2470/4885GAA 3821/4885HPGD 4520/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ZAP70 2470/4885GAA 3821/4885HPGD 4520/4885

“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.