SCHEMBL16611191

SCHEMBL16611191

COC(=O)c1cc(-c2nn(-c3c(F)cccc3F)c3ccnc(OC)c23)cs1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.38
PTGER1 P34995 2/20 0.36
ABL1 P00519 1/20 0.34
QPCT Q16769 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
MAPK14 Q16539 1/20 0.33
CSNK2A1 P68400 1/20 0.32
MAPK1 P28482 4/20 0.32
ROCK2 O75116 1/20 0.32
CYP3A4 P08684 1/20 0.32
PRKACA P17612 1/20 0.32
ROCK1 Q13464 1/20 0.32
LRRK2 Q5S007 3/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL16611818 0.84 ALDH1A1 (0.39) PTGER1MAPK14MAPK1
SCHEMBL16610786 0.81 PTGER1 (0.38) KDRPTGER1ABL1QPCTATR
SCHEMBL16611712 0.80 ATR (0.35) KDRABL1QPCTATRATRIP
SCHEMBL16611684 0.79 RORC (0.43) PTGER1FFAR4
SCHEMBL16610536 0.78 BRAF (0.39) PTGER1ROCK2PRKACAROCK1LRRK2
SCHEMBL16610698 0.77 EGFR (0.40) KDRABL1ATRATRIPLRRK2
SCHEMBL16611570 0.77 PPARD (0.38) PTGER1ROCK2CYP3A4PRKACAROCK1
SCHEMBL16610798 0.76 LRRK2 (0.35) PTGER1LRRK2
SCHEMBL16611134 0.76 FFAR4 (0.36) PTGER1MAPK14FFAR4
SCHEMBL16611034 0.76 SRC (0.39) KDRABL1LRRK2

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 KDR 4143/4885PTGER1 1116/4885ABL1 1046/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 KDR 4143/4885PTGER1 1116/4885ABL1 1046/4885

“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.