SCHEMBL10127221

SCHEMBL10127221

CSc1nc(Cl)c(C(N)=O)c(Nc2cncc(Br)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
PPARG P37231 2/20 0.36
CA13 Q8N1Q1 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.33
ZAP70 P43403 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SRC P12931 2/20 0.32
ABL1 P00519 1/20 0.32
PDE4B Q07343 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32

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
SCHEMBL10127041 0.88 CA1 (0.38) CA1CA2CA7PPARGCA13
SCHEMBL282929 0.87 POLB (0.39) CA1CA2CA7PPARGCA13
SCHEMBL13071322 0.86 CA1 (0.37) CA1CA2CA7PPARGCA13
SCHEMBL17340307 0.86 CA1 (0.36) CA1CA2CA7PPARGCA13
SCHEMBL10127243 0.83 ZAP70 (0.33) PPARGMEN1KMT2AZAP70PDE4B
SCHEMBL10127219 0.81 MAPKAPK2 (0.45) CA1CA2CA7PPARGCA13
SCHEMBL10127090 0.77 CA1 (0.48) CA1CA2CA7PPARGCA13
SCHEMBL283538 0.77 RAB9A (0.46) PPARGPOLBMEN1KMT2AMAPT
SCHEMBL10127228 0.77 KIT (0.39) CA1CA2CA7PPARGCA13
SCHEMBL10127161 0.77 TNF (0.43) CA1CA2CA7PPARGCA13

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 9 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

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 CA1 2814/4885CA2 1945/4885CA7 2233/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 CA1 2814/4885CA2 1945/4885CA7 2233/4885

“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.