SCHEMBL6178692

SCHEMBL6178692

CCc1nc(C(C)(C)C)cn1-c1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.44
CA1 P00915 2/20 0.44
NAMPT P43490 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GFER P55789 1/20 0.42
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
METTL3 Q86U44 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
PTGER4 P35408 2/20 0.38
LMNA P02545 1/20 0.38
NQO2 P16083 1/20 0.38
BRD4 O60885 2/20 0.37
AKT1 P31749 1/20 0.37
P2RY14 Q15391 1/20 0.37

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
SCHEMBL6176742 0.86 TAAR1 (0.47) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL6332247 0.82 P2RY14 (0.43) CA2CA1NAMPTALDH1A1GFER
SCHEMBL6331701 0.81 NAMPT (0.41) CA2CA1NAMPTCCNCCDK8
SCHEMBL6336505 0.81 NAMPT (0.43) CA2CA1NAMPTALDH1A1GFER
SCHEMBL6329645 0.80 NAMPT (0.38) CA2CA1NAMPTALDH1A1GFER
SCHEMBL6331660 0.80 POLB (0.40) CA2CA1NAMPTCCNCCDK8
SCHEMBL6177112 0.77 CA1 (0.55) CA2CA1ALDH1A1MAPTPTGER4
SCHEMBL27741035 0.76 CA2 (0.56) CA2CA1NAMPTMAPTTDP1
SCHEMBL5797116 0.76 NAMPT (0.51) CA2CA1NAMPTCCNCCDK8
SCHEMBL6174762 0.75 TAAR1 (0.45) MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6956050-B2 Imidazole compounds as anti-inflammatory and analgesic agents PFIZER, INC. (US) 2005-10-18 US disclosed
EP-1494667-A1 IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents HIRANO MISATO (JP) 2003-11-27 US disclosed
WO-2003086390-A1 IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 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-20030220372-A1 Imidazole compounds as anti-inflammatory and analgesic agents PTGS1, PTGS2, PTGES CA2 608/4885CA1 2155/4885NAMPT 1992/4885

“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.