SCHEMBL4318776

SCHEMBL4318776

COC(=O)c1nc(C=O)n2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.51
▸ ALDH1A1 P00352 7/20 0.51
▸ DAPK3 O43293 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ RET P07949 1/20 0.45
▸ MET P08581 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ LTK P29376 1/20 0.45
▸ GRK5 P34947 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MAPK8 P45983 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ CSNK1A1 P48729 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ CLK2 P49760 1/20 0.45

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
SCHEMBL2743133 0.79 KDM4E (0.54) KDM4EALDH1A1DAPK3JAK2PRKD3
SCHEMBL17438086 0.77 HTR4 (0.56) KDM4EALDH1A1
SCHEMBL19902679 0.77 KDM4E (0.51) KDM4EALDH1A1DAPK3JAK2PRKD3
SCHEMBL17438046 0.76 KDM4E (0.50) KDM4EALDH1A1DAPK3JAK2PRKD3
SCHEMBL19127956 0.76 KDM4E (0.53) KDM4EALDH1A1DAPK3JAK2PRKD3
SCHEMBL4323463 0.74 KDM4E (0.58) KDM4EALDH1A1DAPK3JAK2PRKD3
SCHEMBL4333103 0.74 ALDH1A1 (0.48) KDM4EALDH1A1DAPK3JAK2PRKD3
SCHEMBL4332240 0.74 CNR2 (0.65) KDM4EALDH1A1RAB9AMAPTMEN1
SCHEMBL20674509 0.73 ALDH1A1 (0.42) KDM4EALDH1A1GAARAB9AMAPT
SCHEMBL286358 0.69 ALDH1A1 (0.71) KDM4EALDH1A1DAPK3JAK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 — — US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 — — US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 — — US disclosed
EP-2120938-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES Merck & Co., Inc. (US) 2009-11-25 — — EP disclosed
WO-2008085302-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2008-07-17 — — WO disclosed
WO-2008085302-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2008-07-17 — — 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 KDM4E 2430/4885ALDH1A1 2838/4885DAPK3 2262/4885

“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.

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