SCHEMBL10156735

SCHEMBL10156735

CSc1nc(Cl)c(C(N)=O)c(Nc2ccc(C(F)(F)F)nc2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA13 Q8N1Q1 1/20 0.43
FLT4 P35916 1/20 0.41
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
JAK2 O60674 9/20 0.40
JAK1 P23458 9/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
PPARG P37231 1/20 0.37
DGAT1 O75907 1/20 0.37

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
SCHEMBL10127161 0.85 TNF (0.43) CA1CA2CA7CA13JAK2
SCHEMBL283679 0.84 CA1 (0.45) CA1CA2CA7CA13FLT4
SCHEMBL10157923 0.84 KIT (0.38) FLT4KITFLT3JAK2JAK1
SCHEMBL10127228 0.83 KIT (0.39) CA1CA2CA7CA13KIT
SCHEMBL13071122 0.82 NTRK1 (0.47) CA1CA2CA7CA13
SCHEMBL10127142 0.81 PDE4B (0.45) CA1CA2CA7CA13JAK2
SCHEMBL10127026 0.80 CA1 (0.56) CA1CA2CA7CA13JAK2
SCHEMBL10127090 0.79 CA1 (0.48) CA1CA2CA7CA13JAK2
SCHEMBL10127103 0.79 NFKB1 (0.44) CA1CA2CA7CA13TRPV1
SCHEMBL10156575 0.78 LTA4H (0.42) CA1CA2CA7PPARG

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 5 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
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 CA1 2814/4885CA2 1945/4885CA7 2233/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 CA1 2814/4885CA2 1945/4885CA7 2233/4885

“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.