SCHEMBL10129032

SCHEMBL10129032

CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1NCC1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 6/20 0.66
ALK Q9UM73 6/20 0.66
PRKCQ Q04759 1/20 0.46
CAMK1D Q8IU85 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
BRD4 O60885 1/20 0.41
SYK P43405 1/20 0.41
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
AXL P30530 3/20 0.40
TYRO3 Q06418 1/20 0.40
ETV6 P41212 1/20 0.39
CREBBP Q92793 1/20 0.39
VCP P55072 1/20 0.39
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL10129054 0.91 EML4 (0.66) EML4ALKPRKCQCAMK1DSYK
SCHEMBL10129033 0.90 EML4 (0.62) EML4ALKPRKCQCAMK1DBRD4
SCHEMBL10129034 0.90 EML4 (0.62) EML4ALKPRKCQCAMK1DBRD4
SCHEMBL10129043 0.90 EML4 (0.66) EML4ALKPRKCQCAMK1DFLT3
SCHEMBL10129027 0.89 EML4 (0.65) EML4ALKPRKCQCAMK1DFLT3
SCHEMBL10128972 0.88 EML4 (0.82) EML4ALKKITFLT3AXL
SCHEMBL10129036 0.86 EML4 (0.63) EML4ALKPRKCQCAMK1DSYK
SCHEMBL10129038 0.86 EML4 (0.63) EML4ALKPRKCQCAMK1DSYK
SCHEMBL10129039 0.85 EML4 (0.62) EML4ALKPRKCQCAMK1DBRD4
SCHEMBL10129031 0.85 EML4 (0.60) EML4ALKPRKCQCAMK1D

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 2/4885PRKCQ 701/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885PRKCQ 701/4885

“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.