SCHEMBL10128261

SCHEMBL10128261

CS(=O)(=O)c1cccc(Nc2nc(NCC3(O)CCCCC3)[nH]c(=O)c2C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 2/20 0.44
ALK Q9UM73 2/20 0.44
CAMK1D Q8IU85 2/20 0.39
SYK P43405 3/20 0.39
PDE4B Q07343 2/20 0.37
CREBBP Q92793 2/20 0.36
BRD4 O60885 1/20 0.36
JAK1 P23458 3/20 0.35
JAK2 O60674 3/20 0.35
ROCK1 Q13464 1/20 0.35
KIF18A Q8NI77 2/20 0.35
JAK3 P52333 2/20 0.34
PTK2 Q05397 2/20 0.34
LIMK2 P53671 1/20 0.34

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
SCHEMBL10128214 0.92 EML4 (0.43) EML4ALKCAMK1DSYKPDE4B
SCHEMBL10128278 0.90 EML4 (0.42) EML4ALKCAMK1DSYKPDE4B
SCHEMBL10128286 0.90 EML4 (0.42) EML4ALKCAMK1DSYKPDE4B
SCHEMBL10128295 0.85 SYK (0.49) EML4ALKCAMK1DSYKPDE4B
SCHEMBL10128322 0.84 SYK (0.39) EML4ALKCAMK1DSYKPDE4B
SCHEMBL10128300 0.84 CA1 (0.38) EML4ALKSYKJAK1JAK2
SCHEMBL10128339 0.83 TNNI3K (0.42) SYK
SCHEMBL10128374 0.83 EML4 (0.38) EML4ALKCAMK1DSYKCREBBP
SCHEMBL10128309 0.83 SYK (0.38) EML4ALKCAMK1DSYKPDE4B
SCHEMBL10156852 0.83 TNNI3K (0.38) SYK

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 2/4885CAMK1D 1430/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885CAMK1D 1430/4885

“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.