SCHEMBL16611663

SCHEMBL16611663

O=C(O)c1cc(-c2nn(C3CCCC3)c3cc[nH]c(=O)c23)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.40
JAK1 P23458 14/20 0.40
PIK3CD O00329 3/20 0.36
ABL1 P00519 3/20 0.36
EGFR P00533 3/20 0.36
HCK P08631 3/20 0.36
SRC P12931 3/20 0.36
KDR P35968 3/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CB P42338 3/20 0.36
MTOR P42345 3/20 0.36
PIK3CG P48736 3/20 0.36
EPHB4 P54760 3/20 0.36
PRKDC P78527 3/20 0.36
PI4KB Q9UBF8 2/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 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
SCHEMBL16610805 0.91 CREBBP (0.39) JAK2JAK1
SCHEMBL16611256 0.91 PIK3CD (0.37) JAK2JAK1PIK3CDABL1EGFR
SCHEMBL16610866 0.90 QPCT (0.36) JAK2JAK1PIK3CDABL1EGFR
SCHEMBL16611026 0.88 JAK2 (0.42) JAK2JAK1PIK3CDABL1EGFR
SCHEMBL16611394 0.88 RET (0.38) JAK2JAK1PIK3CDABL1EGFR
SCHEMBL16610853 0.87 PDE7A (0.41)
SCHEMBL16611209 0.85 MMP12 (0.37) JAK2JAK1BTK
SCHEMBL16611254 0.84 JAK1 (0.34) JAK2JAK1PIK3CDABL1EGFR
SCHEMBL16610893 0.84 JAK1 (0.34) JAK2JAK1PIK3CDABL1EGFR
SCHEMBL16610880 0.84 JAK1 (0.34) JAK2JAK1PIK3CDABL1EGFR

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 JAK2 1/4885JAK1 2/4885PIK3CD 1337/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 JAK2 1/4885JAK1 2/4885PIK3CD 1337/4885

“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.