SCHEMBL10127182

SCHEMBL10127182

CSc1nc(Nc2ccc(Cl)nc2)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.42
TNF P01375 1/20 0.41
GFER P55789 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ZAP70 P43403 1/20 0.37
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
SYK P43405 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
PIK3CA P42336 1/20 0.35
PDE4B Q07343 1/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
HIF1AN Q9NWT6 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35

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
SCHEMBL10127075 0.88 XDH (0.42) XDHZAP70SYKSLC22A12PDE4B
SCHEMBL282805 0.85 NTRK1 (0.42) XDHGFERZAP70SYKPIK3CA
SCHEMBL10156080 0.84 XDH (0.40) XDHJAK2JAK1SYKSLC22A12
SCHEMBL10127269 0.83 GFER (0.43) XDHGFERRXFP1ZAP70JAK2
SCHEMBL10127150 0.83 XDH (0.46) XDHRXFP1PDE4B
SCHEMBL10127107 0.82 PDE4B (0.43) XDHGFERJAK2SYKPDE4B
SCHEMBL10127260 0.81 PNP (0.41) XDHGFERRXFP1JAK2JAK1
SCHEMBL10156696 0.81 LTA4H (0.41) XDHZAP70SYKPDE4B
SCHEMBL10127267 0.80 GFER (0.43) XDHGFERRXFP1ZAP70
SCHEMBL10127080 0.80 GFER (0.43) XDHGFERRXFP1ZAP70JAK2

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 10 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
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP 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 XDH 3761/4885TNF 4668/4885GFER 3862/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 XDH 3761/4885TNF 4668/4885GFER 3862/4885

“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.