SCHEMBL5882599

SCHEMBL5882599

OCCC#Cc1ccnc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
ASIC3 Q9UHC3 1/20 0.37
PGK1 P00558 3/20 0.35
TLR7 Q9NYK1 1/20 0.33
GRM5 P41594 3/20 0.33
RECQL P46063 1/20 0.31
SORD Q00796 1/20 0.31
MAPK14 Q16539 3/20 0.30
GRM4 Q14833 1/20 0.30
EGFR P00533 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
SCHEMBL102806 0.78 GRM5 (0.56) FFAR1GRM5GRM4EGFR
SCHEMBL22413027 0.74 PGK1 (0.39) PGK1GRM5EGFR
SCHEMBL16256044 0.74 GRM5 (0.46) ASIC3GRM5MAPK14
SCHEMBL23831073 0.73 FFAR1 (0.50) FFAR1PGK1GRM5
SCHEMBL23854205 0.72 FFAR1 (0.46) FFAR1PGK1GRM5
SCHEMBL13138542 0.72 FFAR1 (0.44) FFAR1GRM5GRM4
SCHEMBL708713 0.69 FFAR1 (0.42) FFAR1GRM5GRM4
SCHEMBL31036128 0.69 GRM5 (0.45) FFAR1ASIC3GRM5
SCHEMBL102810 0.69 GRM5 (0.45) FFAR1ASIC3GRM5
SCHEMBL16065177 0.69 ASIC3 (0.40) ASIC3TLR7GRM5MAPK14

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
US-20060287338-A1 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-12-21 US disclosed
US-7122551-B2 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-10-17 US disclosed
US-20040176386-A1 Compounds ASTRAZENECA AB (SE) 2004-09-09 US disclosed
US-6734183-B2 USEFUL AS METALLOPROTEINASE INHIBITOR; PIPERAZINO-SULFONAMIDE OR PIPERIDINO-SULFONAMIDE COMPOUND ASTRAZENECA AB (SE) 2004-05-11 US disclosed
EP-1261590-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020022628-A1 Compounds ASTRAZENECA AB (SE) 2002-02-21 US disclosed
WO-2001062742-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES ASTRAZENECA AB (SE) 2001-08-30 WO 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 (3 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-20020022628-A1 Compounds MMP13, MMP11, MMP3 FFAR1 3329/4885ASIC3 3142/4885PGK1 1269/4885
US-20060287338-A1 Metalloproteinase inhibitor compounds TIMP3, MMP2, MMP13 FFAR1 4464/4885ASIC3 3434/4885PGK1 1764/4885
US-20040176386-A1 Compounds MMP13, MMP11, MMP3 FFAR1 3329/4885ASIC3 3142/4885PGK1 1269/4885

“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.