SCHEMBL10126692

SCHEMBL10126692

CSc1nc(Cl)c(C(N)=O)c(Nc2cc3cccccc-3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.47
PDE4B Q07343 2/20 0.46
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA13 Q8N1Q1 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
BLM P54132 1/20 0.37
MAPK8 P45983 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL10127142 0.85 PDE4B (0.45) PPARGPDE4BCA1CA2CA7
SCHEMBL17069444 0.82 LMNA (0.47) PPARGMAPTRXFP1LMNA
SCHEMBL10127040 0.82 TP53 (0.46) PPARGTP53
SCHEMBL10127090 0.81 CA1 (0.48) PPARGPDE4BCA1CA2CA7
SCHEMBL283538 0.81 RAB9A (0.46) PPARGMAPTPOLBLMNAKDM4E
SCHEMBL10127045 0.81 MAPT (0.45) PPARGCA1CA2CA7MAPT
SCHEMBL10127156 0.80 PPARG (0.43) PPARGPDE4BMAPTPOLBRXFP1
SCHEMBL10127219 0.80 MAPKAPK2 (0.45) PPARGCA1CA2CA7CA13
SCHEMBL10127227 0.80 CA1 (0.40) PPARGCA1CA2CA7CA13
SCHEMBL10127210 0.79 GSK3B (0.44) PPARGMAPTGSK3B

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
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US 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 2536/4885PDE4B 819/4885CA1 2814/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PPARG 2536/4885PDE4B 819/4885CA1 2814/4885

“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.