SCHEMBL4339536

SCHEMBL4339536

O=C(Nc1cccc(C(F)(F)F)n1)c1nc(CN2CCS(=O)(=O)CC2)c2ccccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 1.00
CNR1 P21554 5/20 1.00
TGFBR1 P36897 1/20 0.38
DYRK1A Q13627 1/20 0.38
KMT2A Q03164 1/20 0.38
ACKR3 P25106 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
LMNA P02545 1/20 0.36
JAK2 O60674 2/20 0.36
TYK2 P29597 2/20 0.36
JAK1 P23458 2/20 0.36
GRM5 P41594 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4339531 0.93 CNR2 (0.87) CNR2CNR1DYRK1AACKR3IRAK4
SCHEMBL4327365 0.88 CNR2 (1.00) CNR2CNR1DYRK1AACKR3IRAK4
SCHEMBL4320080 0.86 CNR2 (0.76) CNR2CNR1KMT2ALMNAJAK2
SCHEMBL4334731 0.86 CNR1 (0.76) CNR2CNR1JAK1GRM5
SCHEMBL4331769 0.86 CNR2 (0.75) CNR2CNR1TGFBR1KMT2A
SCHEMBL4324652 0.84 CNR2 (0.73) CNR2CNR1DYRK1ALMNA
SCHEMBL4323159 0.84 CNR2 (0.74) CNR2CNR1TGFBR1ACKR3JAK1
SCHEMBL4327707 0.84 CNR1 (0.73) CNR2CNR1KMT2AJAK2TYK2
SCHEMBL4328048 0.83 CNR1 (0.70) CNR2CNR1KMT2A
SCHEMBL4323218 0.81 CNR2 (0.68) CNR2CNR1KMT2A

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 1/4885CNR1 2/4885TGFBR1 1554/4885

“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.