SCHEMBL282919

SCHEMBL282919

CSc1nc(Nc2cccc(S(C)(=O)=O)c2)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 2/20 0.45
ALK Q9UM73 2/20 0.45
GFER P55789 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PDE4B Q07343 4/20 0.43
ROCK1 Q13464 1/20 0.42
CAMK1D Q8IU85 1/20 0.41
SYK P43405 2/20 0.41
JAK3 P52333 2/20 0.40
JAK1 P23458 1/20 0.40
XDH P47989 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 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
SCHEMBL10127066 0.92 ALPL (0.44) ALKGFERRXFP1ROCK1SYK
SCHEMBL16305333 0.90 TNNI3K (0.49) TNNI3KBRAF
SCHEMBL10127083 0.90 TNNI3K (0.43) EML4ALKGFERRXFP1PDE4B
SCHEMBL10127085 0.89 GFER (0.41) EML4ALKGFERRXFP1PDE4B
SCHEMBL10156583 0.89 TNNI3K (0.44) GFERRXFP1MEN1KMT2ACCNB2
SCHEMBL10127137 0.89 GFER (0.43) EML4ALKGFERRXFP1PDE4B
SCHEMBL13071118 0.88 RXFP1 (0.41) EML4ALKGFERRXFP1PDE4B
SCHEMBL10127028 0.87 SYK (0.41) PDE4BSYKJAK3JAK1XDH
SCHEMBL10127056 0.85 GFER (0.47) ALKGFERRXFP1ROCK1SYK
SCHEMBL10127047 0.83 GFER (0.45) GFERRXFP1XDHMEN1KMT2A

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 15 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-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-3009428-A1 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-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-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
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 EML4 1/4885ALK 2/4885GFER 3862/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885GFER 3862/4885

“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.