SCHEMBL10129101

SCHEMBL10129101

CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1Nc1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 9/20 0.68
ALK Q9UM73 9/20 0.68
ROCK1 Q13464 1/20 0.43
CAMK1D Q8IU85 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
AXL P30530 2/20 0.39
ETV6 P41212 2/20 0.39
RET P07949 1/20 0.39
ROS1 P08922 1/20 0.39
FLT3 P36888 1/20 0.39
SYK P43405 2/20 0.38
PDE4B Q07343 2/20 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
SCHEMBL10129104 0.89 EML4 (0.63) EML4ALKROCK1CAMK1DPIP4K2C
SCHEMBL10129000 0.89 EML4 (0.71) EML4ALKROCK1CAMK1DJAK2
SCHEMBL10129100 0.87 ALK (0.65) EML4ALKROCK1JAK2TYK2
SCHEMBL10156720 0.85 ALK (0.67) EML4ALKROCK1CAMK1DJAK2
SCHEMBL10129074 0.85 EML4 (0.67) EML4ALKROCK1CAMK1DSYK
SCHEMBL10129082 0.85 EML4 (0.67) EML4ALKROCK1CAMK1DAXL
SCHEMBL283230 0.84 EML4 (0.66) EML4ALKROCK1CAMK1DJAK2
SCHEMBL10156862 0.84 EML4 (0.66) EML4ALKROCK1CAMK1DAXL
SCHEMBL10129080 0.84 ALK (0.66) EML4ALKROCK1CAMK1DJAK2
SCHEMBL10129083 0.83 EML4 (0.65) EML4ALKROCK1CAMK1DJAK2

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 2/4885ROCK1 1597/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885ROCK1 1597/4885

“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.