SCHEMBL10128503

SCHEMBL10128503

CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1N[C@@H]1CCCC[C@@H]1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.72
EML4 Q9HC35 3/20 0.72
SYK P43405 9/20 0.58
FER P16591 7/20 0.54
MAPK1 P28482 3/20 0.54
JAK2 O60674 2/20 0.54
ROCK2 O75116 2/20 0.54
MAP4K4 O95819 2/20 0.54
HCK P08631 2/20 0.54
ROS1 P08922 2/20 0.54
PIM1 P11309 2/20 0.54
PRKACA P17612 2/20 0.54
MARK3 P27448 2/20 0.54
LTK P29376 2/20 0.54
CSNK1A1 P48729 2/20 0.54
CLK2 P49760 2/20 0.54
MAPK10 P53779 2/20 0.54
MAP2K1 Q02750 2/20 0.54
MAP3K10 Q02779 2/20 0.54
PRKCQ Q04759 2/20 0.54

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
SCHEMBL10129016 0.98 ALK (0.72) ALKEML4SYKFERMAPK1
SCHEMBL10128907 0.91 ALK (0.75) ALKEML4SYKFERMAPK1
SCHEMBL10129001 0.90 ALK (0.70) ALKEML4SYKFERMAPK1
SCHEMBL10129004 0.90 ALK (0.70) ALKEML4SYKFERMAPK1
SCHEMBL10129019 0.90 ALK (0.75) ALKEML4SYKFERMAPK1
SCHEMBL10129018 0.89 ALK (0.71) ALKEML4SYKFERMAPK1
SCHEMBL10157468 0.88 EML4 (0.85) ALKEML4FERROS1RET
SCHEMBL10128872 0.86 ALK (0.86) ALKEML4ROS1RETFLT3
SCHEMBL10128859 0.86 ALK (0.86) ALKEML4ROS1RETFLT3
SCHEMBL286514 0.84 ALK (1.00) ALKEML4ROS1RETFLT3

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