SCHEMBL10157923

SCHEMBL10157923

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
JAK2 O60674 11/20 0.38
JAK1 P23458 11/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
FLT4 P35916 1/20 0.36
MAPK8 P45983 1/20 0.36
EPHX2 P34913 1/20 0.34
SYK P43405 1/20 0.34
ZAP70 P43403 1/20 0.34

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
SCHEMBL10127132 0.86 SYK (0.38) FLT4MAPK8SYKZAP70
SCHEMBL13070939 0.85 TNF (0.39) JAK2JAK1MAPK8SYKZAP70
SCHEMBL10156735 0.84 CA1 (0.44) KITFLT3JAK2JAK1CDK5
SCHEMBL10127241 0.82 KIT (0.35) KITFLT3MAPK8SYKZAP70
SCHEMBL328299 0.82 PDE4B (0.41) JAK2MAPK8SYKZAP70
SCHEMBL10156034 0.80 LTA4H (0.40) MAPK8SYK
SCHEMBL10127247 0.80 KMT2A (0.41) JAK2CDK5CDK5R1
SCHEMBL282425 0.78 TNF (0.42)
SCHEMBL10127252 0.76 ZAP70 (0.37) JAK2JAK1MAPK8SYKZAP70
SCHEMBL283672 0.75 EGFR (0.45) ZAP70

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 KIT 259/4885FLT3 5/4885JAK2 1536/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 KIT 259/4885FLT3 5/4885JAK2 1536/4885

“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.