SCHEMBL4331255

SCHEMBL4331255

CC(NC(=O)c1nc(-c2cccc(Cl)c2)c2ccccn12)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.45
RORC P51449 11/20 0.43
CNR1 P21554 1/20 0.40
PPARG P37231 2/20 0.40
MAP2K3 P46734 1/20 0.40
MAP3K14 Q99558 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL4324553 0.94 ATM (0.46) CNR2RORCPPARGNPC1RAB9A
Trifluoroacetic Acid SCHEMBL4329948 0.94 ATM (0.46) CNR2RORCPPARGNPC1RAB9A
SCHEMBL13578219 0.85 RORC (0.41) CNR2RORCCNR1PPARGMAP2K3
SCHEMBL13578221 0.85 RORC (0.41) CNR2RORCCNR1PPARGMAP2K3
SCHEMBL13578137 0.84 RORC (0.42) RORCPPARGMAP2K3MAP3K14NPC1
SCHEMBL13578162 0.84 RORC (0.46) CNR2RORCPPARGMAP2K3MAP3K14
SCHEMBL4330750 0.84 PHGDH (0.51) CNR2RORCPPARGMAP2K3MAP3K14
SCHEMBL4330753 0.84 PHGDH (0.51) CNR2RORCPPARGMAP2K3MAP3K14
SCHEMBL13578155 0.83 MAP2K3 (0.60) CNR2RORCPPARGMAP2K3KDM4E
SCHEMBL4338386 0.82 CNR2 (0.47) CNR2RORCPPARGMAP2K3KDM4E

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 2 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

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 CNR2 1/4885RORC 135/4885CNR1 2/4885

“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.