SCHEMBL10128322

SCHEMBL10128322

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.39
TNNI3K Q59H18 2/20 0.37
EML4 Q9HC35 2/20 0.37
ALK Q9UM73 2/20 0.37
BCDIN3D Q7Z5W3 3/20 0.33
CAMK1D Q8IU85 2/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
PDE4B Q07343 1/20 0.32
BRAF P15056 1/20 0.32
NAMPT P43490 2/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
HTR5A P47898 1/20 0.31
HTR6 P50406 1/20 0.31

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) SYKEML4ALKBCDIN3DCAMK1D
SCHEMBL10128300 0.92 CA1 (0.38) SYKTNNI3KEML4ALKFLT1
SCHEMBL10128339 0.91 TNNI3K (0.42) SYKTNNI3KBRAF
SCHEMBL10128309 0.90 SYK (0.38) SYKTNNI3KEML4ALKBCDIN3D
SCHEMBL10156852 0.90 TNNI3K (0.38) SYKTNNI3K
SCHEMBL10157414 0.89 SYK (0.36) SYKEML4ALKBCDIN3D
SCHEMBL10128266 0.87 SYK (0.40) SYKALKBCDIN3DPDE4BHTR1A
SCHEMBL10128272 0.85 ESR1 (0.42) SYKHTR1AHTR2AHTR2CHTR7
SCHEMBL10128295 0.84 SYK (0.49) SYKEML4ALKCAMK1DPDE4B
SCHEMBL10128374 0.84 EML4 (0.38) SYKTNNI3KEML4ALKBCDIN3D

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 9 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-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-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 SYK 2200/4885TNNI3K 1317/4885EML4 1/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885TNNI3K 1317/4885EML4 1/4885

“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.