SCHEMBL4444856

SCHEMBL4444856

O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)cnc1Oc1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.71
PTGER2 P43116 3/20 0.71
XDH P47989 1/20 0.53
AURKA O14965 1/20 0.51
CPT1A P50416 2/20 0.51
CPT1B Q92523 2/20 0.51
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CXCR3 P49682 1/20 0.42

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
SCHEMBL4456291 0.92 PTGER4 (0.69) PTGER4PTGER2XDHAURKACPT1A
SCHEMBL4450402 0.86 PTGER4 (0.68) PTGER4PTGER2XDHCPT1ACPT1B
SCHEMBL4448217 0.83 PTGER4 (1.00) PTGER4PTGER2
SCHEMBL4447261 0.82 PTGER4 (0.82) PTGER4PTGER2
SCHEMBL4450530 0.82 PTGER4 (0.66) PTGER4PTGER2XDHCPT1ACPT1B
SCHEMBL4447268 0.80 PTGER4 (0.75) PTGER4PTGER2CXCR3
SCHEMBL5359681 0.79 PTGER4 (0.74) PTGER4PTGER2MAPTTHRB
SCHEMBL5364975 0.77 PTGER4 (0.63) PTGER4PTGER2MAPTTHRB
SCHEMBL4450910 0.77 EPHX2 (0.52) PTGER4XDHCPT1ACPT1BEPHX2
SCHEMBL5354862 0.77 PTGER4 (0.70) PTGER4PTGER2MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1867551-B Phenyl or pyridyl amide compounds as prostaglandin E2 antagonists RAQUALIA PHARMA INC 2013-09-11 CN disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-7238714-B2 Aryl or heteroaryl amide compounds PFIZER JAPAN, INC. (JP) 2007-07-03 US disclosed
US-7238714-B2 Aryl or heteroaryl amide compounds PFIZER JAPAN, INC. (JP) 2007-07-03 US disclosed
CN-1867551-A Phenyl or pyridyl amide compounds as prostaglandin E2 antagonists PFIZER (US) 2006-11-22 CN disclosed
US-20050065188-A1 Aryl or heteroaryl amide compounds ASKAT INC. (JP) 2005-03-24 US 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-20050065188-A1 Aryl or heteroaryl amide compounds HRH2, PTGER1, LTB4R2 PTGER4 13/4885PTGER2 11/4885XDH 877/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 PTGER4 1/4885PTGER2 2/4885XDH 4771/4885

“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.