SCHEMBL10128992

SCHEMBL10128992

CCOC(=O)N1CCC(Nc2nc(Nc3cccc(S(C)(=O)=O)c3)c(C(N)=O)nc2CC)CC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 14/20 0.76
ALK Q9UM73 14/20 0.76
AXL P30530 3/20 0.49
RET P07949 2/20 0.49
ROS1 P08922 2/20 0.49
FLT3 P36888 2/20 0.49
ETV6 P41212 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL10128906 0.92 EML4 (0.78) EML4ALKAXLRETROS1
SCHEMBL10128617 0.90 EML4 (0.81) EML4ALKAXLRETROS1
SCHEMBL10128905 0.89 EML4 (0.79) EML4ALKAXLRETROS1
SCHEMBL10128981 0.89 EML4 (0.79) EML4ALKAXLRETROS1
SCHEMBL10128983 0.88 EML4 (0.77) EML4ALKAXLRETROS1
SCHEMBL10128817 0.87 ALK (0.82) EML4ALKAXLRETROS1
SCHEMBL10157468 0.87 EML4 (0.85) EML4ALKAXLRETROS1
SCHEMBL10129011 0.87 EML4 (0.75) EML4ALKAXLRETROS1
SCHEMBL286514 0.86 ALK (1.00) EML4ALKRETROS1FLT3
SCHEMBL10128872 0.86 ALK (0.86) EML4ALKAXLRETROS1

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 2/4885AXL 22/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885AXL 22/4885

“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.