SCHEMBL10129102

SCHEMBL10129102

CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 3/20 0.65
ALK Q9UM73 3/20 0.65
GHSR Q92847 2/20 0.47
PDE5A O76074 3/20 0.46
PTK2 Q05397 4/20 0.45
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
VNN1 O95497 1/20 0.42
CAMK1D Q8IU85 1/20 0.41
AURKA O14965 2/20 0.40
RPS6KB1 P23443 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40

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
SCHEMBL10129104 0.93 EML4 (0.63) EML4ALKGHSRPDE5APTK2
SCHEMBL10129103 0.90 EML4 (0.60) EML4ALKGHSRPTK2ALDH1A1
SCHEMBL10129074 0.86 EML4 (0.67) EML4ALKCAMK1D
SCHEMBL10129082 0.86 EML4 (0.67) EML4ALKGHSRPTK2CAMK1D
SCHEMBL10129000 0.86 EML4 (0.71) EML4ALKPTK2CAMK1D
SCHEMBL10156862 0.85 EML4 (0.66) EML4ALKPTK2CAMK1D
SCHEMBL10129080 0.85 ALK (0.66) EML4ALKPTK2CAMK1DAURKA
SCHEMBL10129083 0.85 EML4 (0.65) EML4ALKGHSRCAMK1DMAPK8
SCHEMBL10129088 0.84 EML4 (0.64) EML4ALKGHSRPDE5AALDH1A1
SCHEMBL10129084 0.84 EML4 (0.64) EML4ALKGHSRCAMK1DMAPK8

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 2/4885GHSR 4526/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885GHSR 4526/4885

“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.