SCHEMBL10129082

SCHEMBL10129082

CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1NCCO

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 6/20 0.67
ALK Q9UM73 6/20 0.67
GHSR Q92847 1/20 0.42
ROCK1 Q13464 1/20 0.40
CAMK1D Q8IU85 1/20 0.40
SYK P43405 3/20 0.38
AXL P30530 2/20 0.38
ETV6 P41212 1/20 0.38
PDE4B Q07343 3/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
PTK2 Q05397 1/20 0.37
MAPT P10636 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 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
SCHEMBL10129083 0.94 EML4 (0.65) EML4ALKGHSRROCK1CAMK1D
SCHEMBL10129084 0.93 EML4 (0.64) EML4ALKGHSRROCK1CAMK1D
SCHEMBL10129074 0.92 EML4 (0.67) EML4ALKROCK1CAMK1DSYK
SCHEMBL10156862 0.91 EML4 (0.66) EML4ALKROCK1CAMK1DSYK
SCHEMBL10129080 0.91 ALK (0.66) EML4ALKROCK1CAMK1DSYK
SCHEMBL10129076 0.90 EML4 (0.62) EML4ALKROCK1CAMK1DSYK
SCHEMBL10129088 0.89 EML4 (0.64) EML4ALKGHSRROCK1CAMK1D
SCHEMBL10129077 0.89 EML4 (0.64) EML4ALKROCK1CAMK1DSYK
SCHEMBL10129000 0.88 EML4 (0.71) EML4ALKROCK1CAMK1DSYK
SCHEMBL10129086 0.87 EML4 (0.63) EML4ALKROCK1CAMK1DSYK

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 EML4 1/4885ALK 2/4885GHSR 4526/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885GHSR 4526/4885

“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.