SCHEMBL4334559

SCHEMBL4334559

Cc1cccnc1NC(=O)c1nc(CN2CCC(F)(F)CC2)c2ccccn12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.62
CNR1 P21554 6/20 0.62
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
TGFBR1 P36897 1/20 0.37
TGFBR2 P37173 1/20 0.37
HTR4 Q13639 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.36
ATM Q13315 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
SCHEMBL4331300 0.87 CNR1 (0.52) CNR2CNR1KMT2AL3MBTL1KDM4E
SCHEMBL4331291 0.87 CNR1 (0.61) CNR2CNR1KMT2AL3MBTL1KDM4E
SCHEMBL4331257 0.87 CNR2 (0.59) CNR2CNR1TGFBR1TGFBR2HTR4
SCHEMBL4340056 0.87 CNR2 (0.68) CNR2CNR1TGFBR1TGFBR2HTR4
SCHEMBL4330958 0.85 CNR2 (0.62) CNR2CNR1TGFBR1TGFBR2HTR4
SCHEMBL4324493 0.85 CNR2 (0.74) CNR2CNR1TGFBR1TGFBR2NPC1
SCHEMBL4332318 0.83 CNR2 (0.66) CNR2CNR1KMT2ASMN1; SMN2MAPT
SCHEMBL4336060 0.83 CNR2 (0.68) CNR2CNR1KMT2AL3MBTL1KDM4E
SCHEMBL4328542 0.81 CNR2 (0.77) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL4338481 0.81 CNR2 (0.64) CNR2CNR1SMN1; SMN2

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 2/4885KMT2A 1982/4885

“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.