SCHEMBL328299

SCHEMBL328299

CSc1nc(Nc2ccc(-c3ccccc3)nc2)c(C(N)=O)c(OC(C)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.41
PPARG P37231 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.37
MAPK8 P45983 2/20 0.37
MAPK10 P53779 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
ZAP70 P43403 1/20 0.35
SYK P43405 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 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
SCHEMBL10127132 0.85 SYK (0.38) PDE4BPPARGMEN1KMT2AKDM4E
SCHEMBL10127142 0.85 PDE4B (0.45) PDE4BPPARGMEN1KMT2AKDM4E
SCHEMBL10156711 0.85 PDE4B (0.49) PDE4BPPARGMEN1KMT2AKDM4E
SCHEMBL10156034 0.85 LTA4H (0.40) PDE4BPPARGMEN1KMT2AMAPK8
SCHEMBL13070939 0.84 TNF (0.39) PDE4BPPARGLMNAMAPK8MAPT
SCHEMBL10157923 0.82 KIT (0.38) MAPK8ZAP70SYKJAK2
SCHEMBL282425 0.82 TNF (0.42) PPARGKDM4ELMNAMAPTNPC1
SCHEMBL10127247 0.81 KMT2A (0.41) PPARGKMT2ANTRK1JAK2
SCHEMBL10127167 0.79 NTRK1 (0.38) PDE4BPPARGMEN1KMT2ATP53
SCHEMBL10127214 0.78 GSK3A (0.39) PDE4BPPARGMAPT

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-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-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
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP 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 PDE4B 819/4885PPARG 2536/4885MEN1 724/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PDE4B 819/4885PPARG 2536/4885MEN1 724/4885

“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.