SCHEMBL10129036

SCHEMBL10129036

CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1NC[C@H]1CCCCN1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 8/20 0.63
ALK Q9UM73 8/20 0.63
SYK P43405 4/20 0.53
KCNH2 Q12809 3/20 0.53
MAPK3 P27361 1/20 0.50
MAPK1 P28482 1/20 0.50
AURKB Q96GD4 1/20 0.50
CAMK1D Q8IU85 2/20 0.43
AXL P30530 4/20 0.40
PRKCQ Q04759 1/20 0.39
CHEK1 O14757 1/20 0.39
ETV6 P41212 2/20 0.38
RET P07949 1/20 0.37
ROS1 P08922 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL10129038 1.00 EML4 (0.63) EML4ALKSYKKCNH2MAPK3
SCHEMBL10129032 0.86 EML4 (0.66) EML4ALKSYKCAMK1DAXL
SCHEMBL10129049 0.85 EML4 (0.68) EML4ALKSYKCAMK1DAXL
SCHEMBL10129047 0.85 EML4 (0.68) EML4ALKSYKCAMK1DAXL
SCHEMBL10129034 0.85 EML4 (0.62) EML4ALKSYKKCNH2MAPK3
SCHEMBL10129033 0.85 EML4 (0.62) EML4ALKSYKKCNH2MAPK3
SCHEMBL10129058 0.84 EML4 (0.67) EML4ALKSYKCAMK1DAXL
SCHEMBL10129054 0.84 EML4 (0.66) EML4ALKSYKKCNH2CAMK1D
SCHEMBL10129026 0.83 EML4 (0.62) EML4ALKSYKCAMK1DAXL
SCHEMBL10129053 0.83 EML4 (0.67) EML4ALKSYKMAPK1CAMK1D

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.