SCHEMBL10127174

SCHEMBL10127174

CSc1nc(Nc2cccnc2-c2ccccc2)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
XDH P47989 2/20 0.39
POLB P06746 1/20 0.39
NTRK1 P04629 4/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4B Q07343 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL17689744 0.90 RXFP1 (0.41) PPARGRXFP1NCOR2XDHNTRK1
SCHEMBL17340298 0.85 RXFP1 (0.39) PPARGRXFP1NCOR2XDHNTRK1
SCHEMBL10127183 0.84 RXFP1 (0.41) RXFP1XDHPOLBALDH1A1KDM4E
SCHEMBL10127216 0.81 GSK3A (0.39) PPARGRXFP1NCOR2XDHPDE4B
SCHEMBL10126689 0.81 PDE4B (0.45) PPARGRXFP1NCOR2XDHPOLB
SCHEMBL10127156 0.78 PPARG (0.43) PPARGRXFP1POLBNTRK1ALDH1A1
SCHEMBL10127150 0.78 XDH (0.46) PPARGRXFP1NCOR2XDHKDM4E
SCHEMBL283685 0.76 ALK (0.40) NTRK1
SCHEMBL10127260 0.75 PNP (0.41) RXFP1XDHNTRK1PDE4B
SCHEMBL10127167 0.75 NTRK1 (0.38) PPARGRXFP1POLBNTRK1ALDH1A1

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 PPARG 2536/4885RXFP1 3865/4885NCOR2 643/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PPARG 2536/4885RXFP1 3865/4885NCOR2 643/4885

“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.