SCHEMBL16610879

SCHEMBL16610879

NC(=O)Cc1ccc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.37
HTT P42858 1/20 0.33
CA2 P00918 1/20 0.33
ALDH2 P05091 3/20 0.32
RORC P51449 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 1/20 0.31
THRB P10828 1/20 0.31
SMO Q99835 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
MAPK14 Q16539 1/20 0.30
CHRM1 P11229 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
SCHEMBL16611400 0.90 PTGER1 (0.36) PTGER1MAPK14
SCHEMBL16611726 0.87 MAPK14 (0.35) RORCMAPK14
SCHEMBL16611046 0.86 PTGER1 (0.39) PTGER1RORCROCK2ROCK1MAPK14
SCHEMBL16623593 0.83 RORC (0.45) PTGER1RORCMAPK14
SCHEMBL16611374 0.82 JAK1 (0.36) PTGER1
SCHEMBL16611283 0.81 PTGER1 (0.40) PTGER1MAPK14
SCHEMBL16611258 0.81 KCNJ5 (0.35) HTTCA2ALDH2RORCNPSR1
SCHEMBL16611110 0.81 HTT (0.32) HTTCA2NPSR1
SCHEMBL18052588 0.81 PTGER1 (0.35) PTGER1
SCHEMBL16611791 0.80 BRD4 (0.36) PTGER1RORCMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US claimed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US claimed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US claimed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP claimed
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 1116/4885HTT 977/4885CA2 1618/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PTGER1 1116/4885HTT 977/4885CA2 1618/4885

“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.