SCHEMBL10129083

SCHEMBL10129083

CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1NCCCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 5/20 0.65
ALK Q9UM73 5/20 0.65
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
MTOR P42345 1/20 0.40
SMG1 Q96Q15 1/20 0.40
CAMK1D Q8IU85 1/20 0.39
ROCK1 Q13464 1/20 0.39
SYK P43405 3/20 0.39
AXL P30530 3/20 0.38
ETV6 P41212 2/20 0.38
PDE4B Q07343 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
GHSR Q92847 1/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36

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
SCHEMBL10129084 0.97 EML4 (0.64) EML4ALKCDK1CDK2MTOR
SCHEMBL10129082 0.94 EML4 (0.67) EML4ALKCAMK1DROCK1SYK
SCHEMBL10129076 0.92 EML4 (0.62) EML4ALKCAMK1DROCK1SYK
SCHEMBL10129074 0.90 EML4 (0.67) EML4ALKCAMK1DROCK1SYK
SCHEMBL10156862 0.89 EML4 (0.66) EML4ALKCAMK1DROCK1SYK
SCHEMBL10129080 0.89 ALK (0.66) EML4ALKCDK1CDK2CAMK1D
SCHEMBL10129088 0.88 EML4 (0.64) EML4ALKCAMK1DROCK1SYK
SCHEMBL10129077 0.88 EML4 (0.64) EML4ALKCAMK1DROCK1SYK
SCHEMBL10129000 0.86 EML4 (0.71) EML4ALKCAMK1DROCK1SYK
SCHEMBL10129086 0.85 EML4 (0.63) EML4ALKCAMK1DROCK1SYK

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 2/4885CDK1 879/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885CDK1 879/4885

“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.