SCHEMBL3948843

SCHEMBL3948843

[CH2]Cc1ccc(-n2c(CCC(=O)c3ccccn3)nc3cc(C(F)(F)F)c(Cl)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.41
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
MAPT P10636 5/20 0.38
TP53 P04637 2/20 0.38
HMOX1 P09601 1/20 0.36
HMOX2 P30519 1/20 0.36
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NTRK1 P04629 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
GRM5 P41594 1/20 0.33
ENPP2 Q13822 1/20 0.32
BRAF P15056 1/20 0.32

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
SCHEMBL1625018 0.92 CTNNB1 (0.41) GRM4CTNNB1WNT3AMAPTTP53
SCHEMBL3946684 0.84 RXFP1 (0.35) MAPTTP53HMOX1HMOX2MEN1
SCHEMBL3956236 0.82 LMNA (0.37) GRM4MAPTTP53ALDH1A1LMNA
SCHEMBL1625340 0.81 NTRK1 (0.36) CTNNB1WNT3AMAPTTP53NTRK1
SCHEMBL3949939 0.80 HPGD (0.40) ALDH1A1IRAK4LMNA
SCHEMBL3955832 0.79 HPGD (0.41) MAPTALDH1A1IRAK4
SCHEMBL3949899 0.77 OPRK1 (0.42)
SCHEMBL3956580 0.77 AOC2 (0.35)
SCHEMBL3949979 0.77 CNR2 (0.36) ALDH1A1MEN1KMT2AGAA
SCHEMBL1625609 0.76 AOC2 (0.37) MAPTTP53HMOX1HMOX2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7479564-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC. (JP) 2009-01-20 US disclosed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 US disclosed
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PFIZER INC. 2007-03-22 US disclosed
US-7141580-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2006-11-28 US disclosed
EP-1666480-A1 Aryl or Heteroaryl Fused Imidazole Compounds as intermediates for Anti-Inflammatory And Analgesic Agents. PFIZER PHARMACEUTICALS INC. (JP) 2006-06-07 EP disclosed
EP-1326864-B1 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMA (JP) 2006-03-15 EP disclosed
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2004-09-16 US disclosed
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 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 (4 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-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 GRM4 3090/4885CTNNB1 2396/4885WNT3A 1486/4885
US-20070066618-A1 Use of EP4 Receptor Ligands in the Treatment of IL-6 Involved Diseases PTGER4, PTGER1, IL6 GRM4 254/4885CTNNB1 4650/4885WNT3A 3761/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 GRM4 3122/4885CTNNB1 2414/4885WNT3A 1514/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES GRM4 2875/4885CTNNB1 1712/4885WNT3A 1491/4885

“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.