SCHEMBL10129090

SCHEMBL10129090

CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1NC(COC)COC

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 7/20 0.63
ALK Q9UM73 7/20 0.63
SYK P43405 6/20 0.43
PDE4B Q07343 2/20 0.39
CRHR1 P34998 1/20 0.39
CAMK1D Q8IU85 1/20 0.38
ROCK1 Q13464 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
LMNA P02545 1/20 0.37
RET P07949 1/20 0.36
ROS1 P08922 1/20 0.36
FLT3 P36888 1/20 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
SCHEMBL10129088 0.86 EML4 (0.64) EML4ALKSYKPDE4BCAMK1D
SCHEMBL10129085 0.85 EML4 (0.65) EML4ALKSYKCAMK1DROCK1
SCHEMBL10129000 0.84 EML4 (0.71) EML4ALKSYKPDE4BCAMK1D
SCHEMBL10129059 0.83 EML4 (0.63) EML4ALKSYKCAMK1DROCK1
SCHEMBL10129100 0.83 ALK (0.65) EML4ALKSYKPDE4BROCK1
SCHEMBL10129078 0.83 EML4 (0.62) EML4ALKSYKCRHR1CAMK1D
SCHEMBL10129101 0.82 EML4 (0.68) EML4ALKSYKPDE4BCAMK1D
SCHEMBL10156720 0.81 ALK (0.67) EML4ALKSYKPDE4BCAMK1D
SCHEMBL10129082 0.81 EML4 (0.67) EML4ALKSYKPDE4BCAMK1D
SCHEMBL10129074 0.81 EML4 (0.67) EML4ALKSYKCAMK1DROCK1

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 2/4885SYK 2200/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885SYK 2200/4885

“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.