SCHEMBL4326394

SCHEMBL4326394

O=C(O)c1nc(-c2ccc(F)cc2)c2ccccn12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 14/20 0.57
▸ MAP2K3 P46734 1/20 0.57
▸ PPARG P37231 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HPGD P15428 1/20 0.49

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
SCHEMBL18031314 0.89 MAP2K3 (0.54) RORCMAP2K3PPARGALDH1A1KDM4E
SCHEMBL18033605 0.86 RORC (0.53) RORCMAP2K3PPARGALDH1A1KDM4E
SCHEMBL29390070 0.86 RORC (0.59) RORCMAP2K3PPARGALDH1A1KDM4E
SCHEMBL4318781 0.82 ALDH1A1 (0.54) RORCMAP2K3ALDH1A1KDM4EMEN1
SCHEMBL4326384 0.81 NPC1 (0.52) RORCMAP2K3ALDH1A1KDM4EMAPT
SCHEMBL4331407 0.80 MAP2K3 (0.44) RORCMAP2K3PPARGALDH1A1KDM4E
SCHEMBL4329405 0.79 MAPK1 (0.45) RORCMAP2K3PPARGALDH1A1KDM4E
SCHEMBL13578204 0.79 HMGCR (0.46) RORCMAP2K3ALDH1A1KDM4EMEN1
SCHEMBL13578193 0.78 PPARG (0.44) RORCMAP2K3PPARGALDH1A1KDM4E
SCHEMBL13578214 0.78 CNR2 (0.47) RORCMAP2K3PPARGALDH1A1KDM4E

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-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
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 RORC 135/4885MAP2K3 1970/4885PPARG 103/4885

“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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