SCHEMBL16611306

SCHEMBL16611306

CNC(=O)c1cc(-c2nn(C3CCCC3)c3ccnc(OC)c23)cs1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.41
BTK Q06187 9/20 0.41
KDR P35968 5/20 0.37
RET P07949 2/20 0.37
PDE7A Q13946 1/20 0.37
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
PIK3CD O00329 3/20 0.35
ABL1 P00519 3/20 0.35
HCK P08631 3/20 0.35
SRC P12931 3/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
MTOR P42345 3/20 0.35
PIK3CG P48736 3/20 0.35
EPHB4 P54760 3/20 0.35
PRKDC P78527 3/20 0.35
PI4KB Q9UBF8 3/20 0.35

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
SCHEMBL16611243 0.91 EGFR (0.40) EGFRBTKPDE7A
SCHEMBL16610698 0.91 EGFR (0.40) EGFRBTKKDRPDE7APIK3CD
SCHEMBL16611252 0.90 EGFR (0.39) EGFRBTKKDRIKBKETBK1
SCHEMBL16610707 0.89 EGFR (0.40) EGFRBTKKDRRETIKBKE
SCHEMBL16611398 0.89 EGFR (0.41) EGFRBTKPDE7A
SCHEMBL16610979 0.87 EGFR (0.37) EGFRBTKKDRPDE7APIK3CD
SCHEMBL16611009 0.83 LRRK2 (0.41) EGFR
SCHEMBL16611248 0.80 BTK (0.35) EGFRBTKRETIKBKETBK1
SCHEMBL16610884 0.80 BTK (0.35) EGFRBTKRETIKBKETBK1
SCHEMBL16610881 0.80 BTK (0.35) EGFRBTKRETIKBKETBK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 EGFR 4532/4885BTK 117/4885KDR 4143/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 EGFR 4532/4885BTK 117/4885KDR 4143/4885

“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.