SCHEMBL10127142

SCHEMBL10127142

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.45
PPARG P37231 2/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
THRB P10828 3/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
POLB P06746 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38

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
SCHEMBL10156711 0.89 PDE4B (0.49) PDE4BPPARGKDM4EMEN1KMT2A
SCHEMBL10126692 0.85 PPARG (0.47) PDE4BPPARGKDM4EMEN1KMT2A
SCHEMBL10127161 0.85 TNF (0.43) PDE4BPPARGMEN1KMT2ACA1
SCHEMBL328299 0.85 PDE4B (0.41) PDE4BPPARGKDM4EMEN1KMT2A
SCHEMBL10156575 0.85 LTA4H (0.42) PDE4BPPARGMEN1KMT2AMAPT
SCHEMBL283679 0.84 CA1 (0.45) PPARGMEN1KMT2AMAPTCA1
SCHEMBL13071122 0.82 NTRK1 (0.47) KDM4EMEN1KMT2ALMNAMAPT
SCHEMBL283538 0.81 RAB9A (0.46) PPARGKDM4EMEN1KMT2ALMNA
SCHEMBL10156735 0.81 CA1 (0.44) PPARGCA1CA2CA7CA13
SCHEMBL10127219 0.80 MAPKAPK2 (0.45) PPARGKDM4EMEN1KMT2ATP53

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
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-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
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 2536/4885KDM4E 39/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PDE4B 819/4885PPARG 2536/4885KDM4E 39/4885

“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.