SCHEMBL4320342

SCHEMBL4320342

O=C(NCc1cncc2ccccc12)c1nc(-c2cccc(Cl)c2)n2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
PTGER4 P35408 1/20 0.39
CYP2C9 P11712 1/20 0.38
CNR2 P34972 1/20 0.38
DGAT2 Q96PD7 2/20 0.38
MEN1 O00255 1/20 0.37
HCRTR1 O43613 1/20 0.37
KMT2A Q03164 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
GLS O94925 1/20 0.37
MAP3K14 Q99558 1/20 0.37
CHRNB2 P17787 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
SCHEMBL4331382 0.86 ADORA2A (0.46) ADORA2AADORA1CYP2C9DGAT2KMT2A
SCHEMBL4329324 0.85 MAPT (0.46) CNR2KMT2AMAPTSCN2ASCN10A
SCHEMBL4331152 0.85 PTGER4 (0.50) ADORA2AADORA1PTGER4CNR2MEN1
SCHEMBL4320324 0.85 CNR2 (0.51) ADORA2AADORA1PTGER4CNR2MEN1
SCHEMBL4326415 0.84 KDM4E (0.49) PTGER4CNR2MEN1KMT2ACASP3
SCHEMBL4332820 0.84 CNR2 (0.45) CNR2MEN1KMT2AMAPTLMNA
SCHEMBL4330448 0.83 ADORA2A (0.46) ADORA2AADORA1PTGER4CNR2DGAT2
SCHEMBL4334935 0.82 PTGER4 (0.47) PTGER4CYP2C9CNR2CASP3SENP8
SCHEMBL13578302 0.80 SMN1; SMN2 (0.47) MEN1KMT2ACASP3SENP8SENP7
SCHEMBL4326084 0.80 CNR2 (0.48) PTGER4CNR2CASP3SENP8SENP7

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 ADORA2A 127/4885ADORA1 164/4885PTGER4 62/4885

“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.