SCHEMBL3946033

SCHEMBL3946033

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.34
NOTUM Q6P988 3/20 0.34
CRBN Q96SW2 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PPARG P37231 1/20 0.32
PDE2A O00408 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
CSF1R P07333 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL1625592 0.90 IRAK4 (0.36) RAF1NOTUMCRBNIRAK4CNR1
SCHEMBL1626400 0.87 RAF1 (0.34) RAF1NOTUMCRBNIRAK4CNR1
SCHEMBL27700297 0.86 NOTUM (0.34) NOTUMPPARGPDE2AHCRTR1HCRTR2
SCHEMBL7101227 0.80 NOTUM (0.31) RAF1NOTUMPDE2AHCRTR1HCRTR2
SCHEMBL1625175 0.79 MAPT (0.35) CNR2
SCHEMBL21470115 0.79 AGTR2 (0.37) PPARG
SCHEMBL30114922 0.79 AGTR2 (0.37) PPARG
SCHEMBL6715015 0.77 MAPT (0.33) CNR2HCRTR1HCRTR2
SCHEMBL3949979 0.77 CNR2 (0.36) NOTUMCNR1CNR2
SCHEMBL6893514 0.76 IRAK4 (0.36) NOTUMCRBNIRAK4CNR1CNR2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836165-A4 DIPYRROLE COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES GEMIN X PHARMACEUTICALS CANADA (CA) 2009-07-08 EP claimed
US-7479564-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC. (JP) 2009-01-20 US claimed
EP-1836165-A1 DIPYRROLE COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES Gemin X Biotechnologies Inc. (CA) 2007-09-26 EP claimed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 US claimed
WO-2006069441-A1 DIPYRROLE COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES GEMIN X BIOTECHNOLOGIES INC. (CA) 2006-07-06 WO claimed
EP-1326864-B1 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMA (JP) 2006-03-15 EP claimed
EP-2976105-B1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE ASKAT INC (JP) 2023-01-04 EP disclosed
US-10786490-B2 Use of EP4 receptor antagonists in the treatment of cartilage disease ASKAT INC. (JP) 2020-09-29 US disclosed
US-10391086-B2 Use of EP4 receptor antagonists in the treatment of cartilage disease ASKAT INC. (JP) 2019-08-27 US disclosed
US-20180193324-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE ASKAT INC. (JP) 2018-07-12 US disclosed
US-20170360764-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE ASKAT INC. (JP) 2017-12-21 US disclosed
US-20160317514-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE ASKAT INC. (JP) 2016-11-03 US disclosed
EP-2976105-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE AskAt Inc. (JP) 2016-01-27 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
CN-1658847-A Use of EP4 receptor ligands for the treatment of IL-6 related disorders PFIZER (US) 2005-08-24 CN 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
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis 2004-02-25 CN disclosed
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents ASKAT INC. (JP) 2002-08-08 US disclosed
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PFIZER PHARMACEUTICALS INC. (JP) 2002-06-20 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 (9 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-10391086-B2 Use of EP4 receptor antagonists in the treatment of cartilage disease PTGER4, PTGER1, EPB41 RAF1 4251/4885NOTUM 3667/4885CRBN 2976/4885
US-10786490-B2 Use of EP4 receptor antagonists in the treatment of cartilage disease PTGER4, PTGER1, PTGER3 RAF1 4503/4885NOTUM 2725/4885CRBN 4720/4885
US-20170360764-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE PTGER4, PTGER1, PTGER3 RAF1 4503/4885NOTUM 2725/4885CRBN 4720/4885
US-20180193324-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE PTGER4, PTGER1, EPB41 RAF1 4251/4885NOTUM 3667/4885CRBN 2976/4885
US-20020107273-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 RAF1 3387/4885NOTUM 3727/4885CRBN 4293/4885
US-20040181059-A1 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, OPRM1 RAF1 3399/4885NOTUM 3667/4885CRBN 4304/4885
US-20160317514-A1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE PTGER4, PTGER1, PTGER3 RAF1 4477/4885NOTUM 2667/4885CRBN 4719/4885
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES RAF1 4170/4885NOTUM 3886/4885CRBN 3571/4885
US-20020077329-A1 EP4 receptor inhibitors to treat rheumatoid arthritis PTGER4, PTGER1, PTGER2 RAF1 2347/4885NOTUM 2510/4885CRBN 4619/4885

“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.