SCHEMBL10157413

SCHEMBL10157413

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.40
CAMK1D Q8IU85 1/20 0.40
NEK2 P51955 1/20 0.36
BRD4 O60885 1/20 0.36
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36
PTK2 Q05397 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
PIK3CD O00329 1/20 0.35
HTR2B P41595 5/20 0.35
HTR1A P08908 3/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR7 P34969 3/20 0.35
HTR5A P47898 3/20 0.35
HTR6 P50406 3/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 1/20 0.35
JAK3 P52333 1/20 0.35
CSNK2A1 P68400 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
SCHEMBL10128266 0.92 SYK (0.40) SYKNEK2PIK3CDHTR2BHTR1A
SCHEMBL10128272 0.91 ESR1 (0.42) SYKPIK3CDHTR2BHTR1AHTR2A
SCHEMBL283768 0.89 SYK (0.39) SYKNEK2BRD4EP300CREBBP
SCHEMBL10128349 0.87 CAMK1D (0.43) SYKCAMK1DPIK3CD
SCHEMBL10156852 0.85 TNNI3K (0.38) SYK
SCHEMBL10128214 0.84 EML4 (0.43) SYKCAMK1DBRD4CREBBPPTK2
SCHEMBL10128322 0.83 SYK (0.39) SYKCAMK1DHTR2BHTR1AHTR2A
SCHEMBL10128300 0.83 CA1 (0.38) SYKNEK2PTK2JAK3CSNK2A1
SCHEMBL10128304 0.83 SYK (0.40) SYKJAK3BCDIN3D
SCHEMBL10128339 0.83 TNNI3K (0.42) 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
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP 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

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 SYK 2200/4885CAMK1D 1430/4885NEK2 1326/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885CAMK1D 1430/4885NEK2 1326/4885

“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.