SCHEMBL10129049

SCHEMBL10129049

CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1NC[C@H]1CCCC[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 12/20 0.68
ALK Q9UM73 12/20 0.68
CAMK1D Q8IU85 2/20 0.46
SYK P43405 1/20 0.43
AXL P30530 3/20 0.41
PRKCQ Q04759 1/20 0.40
ETV6 P41212 2/20 0.39
RET P07949 2/20 0.39
ROS1 P08922 2/20 0.39
FLT3 P36888 2/20 0.39
CREBBP Q92793 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
SCHEMBL10129047 1.00 EML4 (0.68) EML4ALKCAMK1DSYKAXL
SCHEMBL10129058 0.99 EML4 (0.67) EML4ALKCAMK1DSYKAXL
SCHEMBL10128907 0.86 ALK (0.75) EML4ALKCAMK1DSYKAXL
SCHEMBL10129036 0.85 EML4 (0.63) EML4ALKCAMK1DSYKAXL
SCHEMBL10129038 0.85 EML4 (0.63) EML4ALKCAMK1DSYKAXL
SCHEMBL10129019 0.84 ALK (0.75) EML4ALKCAMK1DSYKAXL
SCHEMBL10129026 0.84 EML4 (0.62) EML4ALKCAMK1DSYKAXL
SCHEMBL10129033 0.84 EML4 (0.62) EML4ALKCAMK1DSYKAXL
SCHEMBL10129034 0.84 EML4 (0.62) EML4ALKCAMK1DSYKAXL
SCHEMBL10129053 0.84 EML4 (0.67) EML4ALKCAMK1DSYKAXL

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 2/4885CAMK1D 1430/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885CAMK1D 1430/4885

“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.