SCHEMBL16611646

SCHEMBL16611646

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 11/20 0.45
LDHA P00338 4/20 0.33
ITGA2B P08514 1/20 0.33
ALAD P13716 2/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RORC P51449 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
SCHEMBL16610799 0.91 PTGER1 (0.40) PTGER1
SCHEMBL16610786 0.91 PTGER1 (0.38) PTGER1
SCHEMBL16623593 0.82 RORC (0.45) PTGER1JAK2RORC
SCHEMBL16611283 0.78 PTGER1 (0.40) PTGER1
SCHEMBL16611383 0.78 ZAP70 (0.35) PTGER1
SCHEMBL16611791 0.78 BRD4 (0.36) PTGER1JAK2JAK3RORC
SCHEMBL16611046 0.77 PTGER1 (0.39) PTGER1RORC
SCHEMBL16611853 0.77 MAPK1 (0.42) PTGER1JAK2RORC
SCHEMBL16610924 0.76 DHODH (0.40) PTGER1JAK2JAK3
SCHEMBL18052588 0.76 PTGER1 (0.35) PTGER1JAK2JAK3

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 1116/4885LDHA 3475/4885ITGA2B 4116/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PTGER1 1116/4885LDHA 3475/4885ITGA2B 4116/4885

“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.