SCHEMBL10156034

SCHEMBL10156034

CSc1nc(Nc2ccc(Oc3ccccc3)nc2)c(C(N)=O)c(OC(C)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
KMT2A Q03164 4/20 0.40
PKM P14618 1/20 0.38
PPARG P37231 2/20 0.37
P2RX3 P56373 2/20 0.37
PDE4B Q07343 1/20 0.36
SYK P43405 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
HTR2C P28335 1/20 0.36
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
MAPT P10636 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
SCHEMBL10156575 0.87 LTA4H (0.42) LTA4HKMT2APKMPPARGP2RX3
SCHEMBL328299 0.85 PDE4B (0.41) KMT2APPARGPDE4BSYKNPC1
SCHEMBL10127132 0.83 SYK (0.38) KMT2APPARGPDE4BSYKNPC1
SCHEMBL13070939 0.82 TNF (0.39) PPARGPDE4BSYKMAPTMAPK8
SCHEMBL282425 0.80 TNF (0.42) PPARGNPC1RAB9AMAPTL3MBTL1
SCHEMBL10157923 0.80 KIT (0.38) SYKMAPK8
SCHEMBL10127247 0.79 KMT2A (0.41) KMT2APPARG
SCHEMBL283672 0.79 EGFR (0.45) KMT2ANPC1RAB9AMEN1HTT
SCHEMBL10156696 0.77 LTA4H (0.41) LTA4HKMT2APKMP2RX3PDE4B
SCHEMBL13071122 0.74 NTRK1 (0.47) KMT2ANPC1RAB9AMEN1HTT

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 8 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
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP 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 LTA4H 3048/4885KMT2A 103/4885PKM 1782/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 LTA4H 3048/4885KMT2A 103/4885PKM 1782/4885

“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.