SCHEMBL16611712

SCHEMBL16611712

COC(=O)c1cc(-c2nn(C(C)(C)C)c3ccnc(OC)c23)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
KDR P35968 3/20 0.33
ABL1 P00519 4/20 0.33
LRRK2 Q5S007 5/20 0.33
CSNK2A1 P68400 1/20 0.33
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
SRC P12931 4/20 0.32
RIPK2 O43353 2/20 0.32
PIK3CD O00329 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB4 P54760 1/20 0.32
PRKDC P78527 1/20 0.32
RET P07949 2/20 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
SCHEMBL16611067 0.93 CSNK2A1 (0.36) ATRATRIPKDRABL1LRRK2
SCHEMBL16610774 0.90 RIPK2 (0.38) KDRABL1SRCRIPK2PIK3CD
SCHEMBL16610698 0.83 EGFR (0.40) ATRATRIPKDRABL1LRRK2
SCHEMBL16611009 0.81 LRRK2 (0.41) ATRATRIPLRRK2EGFR
SCHEMBL16611191 0.80 KDR (0.38) ATRATRIPKDRABL1LRRK2
SCHEMBL16611212 0.79 BUB1 (0.40) KDM4EALDH1A1
SCHEMBL16611252 0.76 EGFR (0.39) KDRABL1CSNK2A1SRCPIK3CD
SCHEMBL16611306 0.74 EGFR (0.41) KDRABL1SRCPIK3CDEGFR
SCHEMBL16610707 0.73 EGFR (0.40) KDRABL1SRCPIK3CDEGFR
SCHEMBL16611243 0.72 EGFR (0.40) LRRK2EGFR

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 ATR 1014/4885ATRIP 3022/4885KDR 4143/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ATR 1014/4885ATRIP 3022/4885KDR 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.