SCHEMBL16610786

SCHEMBL16610786

COC(=O)c1cc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)cs1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.38
QPCT Q16769 1/20 0.37
ABL1 P00519 1/20 0.36
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
MAPK14 Q16539 1/20 0.31
CTSK P43235 1/20 0.31
CTSC P53634 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
CHEK1 O14757 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SIRT5 Q9NXA8 1/20 0.30
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 1/20 0.30

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
SCHEMBL16611646 0.91 PTGER1 (0.45) PTGER1
SCHEMBL16610799 0.88 PTGER1 (0.40) PTGER1
SCHEMBL16611853 0.84 MAPK1 (0.42) PTGER1MAPK14ALDH1A1
SCHEMBL16611191 0.81 KDR (0.38) PTGER1QPCTABL1KDRMAPK8
SCHEMBL16610866 0.77 QPCT (0.36) QPCTABL1KDRMAPK8MAPK14
SCHEMBL16610947 0.76 MAP4K4 (0.38) PTGER1ALDH1A1
SCHEMBL16611425 0.76 MAP4K1 (0.39) PTGER1ALDH1A1
SCHEMBL16611283 0.75 PTGER1 (0.40) PTGER1MAPK14DGAT2CHEK1
SCHEMBL16611895 0.75 CREBBP (0.39) QPCTATRATRIP
SCHEMBL16611383 0.75 ZAP70 (0.35) PTGER1

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 6 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-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
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 PTGER1 1116/4885QPCT 352/4885ABL1 1046/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PTGER1 1116/4885QPCT 352/4885ABL1 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.