SCHEMBL6639872

SCHEMBL6639872

NC(Cc1ccc(O)cc1)C(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.66
MAPK13 O15264 11/20 0.66
MAPK12 P53778 11/20 0.66
MAPK11 Q15759 11/20 0.66
GPR142 Q7Z601 1/20 0.48
CIT O14578 2/20 0.43
ALOX5 P09917 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAK O14976 1/20 0.39
RIPK2 O43353 1/20 0.39
BRD4 O60885 1/20 0.39
GMNN O75496 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.39
LMNA P02545 1/20 0.39
RAF1 P04049 1/20 0.39
CYP1A2 P05177 1/20 0.39
IGF1R P08069 1/20 0.39

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
SCHEMBL6640352 0.93 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11GPR142
SCHEMBL6639062 0.92 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11GPR142
SCHEMBL6640597 0.88 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11GPR142
SCHEMBL6643132 0.84 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11GPR142
SCHEMBL6640056 0.84 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11SCN9A
SCHEMBL6640668 0.84 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6638727 0.84 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL6638421 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11GPR142
SCHEMBL6638148 0.84 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11CIT
SCHEMBL6644776 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11GPR142

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948495-B1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS AMGEN INC (US) 2004-04-14 EP claimed
US-20030096819-A1 Aryl and heteroaryl substituted fused pyrrole anti-inflammatory agents AMGEN INC. 2003-05-22 US claimed
US-6180643-B1 ANTAGONIST OF INTERLEUKINS, TUMOR NECROSIS FACTOR AMGEN INC. 2001-01-30 US claimed
WO-1998022457-A9 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS 1998-08-20 WO claimed
EP-0948495-B1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS AMGEN INC (US) 2004-04-14 EP disclosed
US-6605634-B2 Tumor necrosis factor alpha and interleukin-1 (IL-1) mediated diseases; pain, diabetes; cyclooxygenase inhibition AMGEN, INC. 2003-08-12 US disclosed
US-20030096819-A1 Aryl and heteroaryl substituted fused pyrrole anti-inflammatory agents AMGEN INC. 2003-05-22 US disclosed
US-6440973-B1 Aryl and heteroaryl substituted fused pyrrole antiinflammatory agents AMGEN INC. 2002-08-27 US disclosed
US-6180643-B1 ANTAGONIST OF INTERLEUKINS, TUMOR NECROSIS FACTOR AMGEN INC. 2001-01-30 US disclosed
EP-0948495-A1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS Amgen Inc., (US) 1999-10-13 EP disclosed
WO-1998022457-A9 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS 1998-08-20 WO disclosed
WO-1998022457-A1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS AMGEN INC. (US) 1998-05-28 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 (1 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-20030096819-A1 Aryl and heteroaryl substituted fused pyrrole anti-inflammatory agents TNF, IL1A, IL6 MAPK14 2705/4885MAPK13 2534/4885MAPK12 1983/4885

“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.