SCHEMBL10156080

SCHEMBL10156080

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.40
JAK2 O60674 9/20 0.39
JAK1 P23458 9/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SLC22A12 Q96S37 2/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
SYK P43405 1/20 0.37
FLT4 P35916 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 0.85 XDH (0.42) XDHSLC22A12SYK
SCHEMBL10127182 0.84 XDH (0.42) XDHJAK2JAK1SLC22A12SYK
SCHEMBL282805 0.82 NTRK1 (0.42) XDHSYK
SCHEMBL10127253 0.81 XDH (0.42) XDHSLC22A12KITFLT3SYK
SCHEMBL10127028 0.81 SYK (0.41) XDHJAK2JAK1SYK
SCHEMBL10127150 0.80 XDH (0.46) XDH
SCHEMBL10127107 0.80 PDE4B (0.43) XDHJAK2SYK
SCHEMBL10127122 0.79 ATF1 (0.39) XDHSLC22A12SYK
SCHEMBL10127260 0.78 PNP (0.41) XDHJAK2JAK1CDK5CDK5R1
SCHEMBL10156696 0.78 LTA4H (0.41) XDHSYK

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 XDH 3761/4885JAK2 1536/4885JAK1 2743/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 XDH 3761/4885JAK2 1536/4885JAK1 2743/4885

“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.