SCHEMBL16623593

SCHEMBL16623593

O=C(O)c1ccc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.45
TTR P02766 1/20 0.44
PTGER1 P34995 1/20 0.43
RARG P13631 2/20 0.39
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
MAP2K4 P45985 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPK6 Q16659 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL16611046 0.90 PTGER1 (0.39) RORCTTRPTGER1MAP2K4MAPK1
SCHEMBL16611425 0.87 MAP4K1 (0.39) RORCPTGER1JAK2JAK1
SCHEMBL16611377 0.85 ALDH1A1 (0.35) RORCPTGER1HPGDJAK2JAK1
SCHEMBL16611344 0.84 NPSR1 (0.44) PTGER1HPGD
SCHEMBL16611283 0.83 PTGER1 (0.40) PTGER1MAP2K4MAPK14
SCHEMBL18052588 0.82 PTGER1 (0.35) PTGER1JAK2
SCHEMBL16611646 0.82 PTGER1 (0.45) RORCPTGER1JAK2
SCHEMBL16611791 0.82 BRD4 (0.36) RORCPTGER1JAK2MAP2K4MAPK14
SCHEMBL16611040 0.81 PTGS1 (0.40) PTGER1JAK2JAK1MAP2K4
SCHEMBL16611374 0.80 JAK1 (0.36) PTGER1JAK2JAK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 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
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 (1 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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RORC 538/4885TTR 4040/4885PTGER1 1116/4885

“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.