SCHEMBL4331382

SCHEMBL4331382

O=C(NCc1cncc2ccccc12)c1nc(-c2cccnc2)n2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.46
ADORA1 P30542 3/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.41
DGAT2 Q96PD7 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
GLS O94925 1/20 0.38
RAD51 Q06609 1/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4327243 0.87 ALDH1A1 (0.55) ADORA2AADORA1ALDH1A1KDM4EHSD17B10
SCHEMBL4320342 0.86 ADORA2A (0.46) ADORA2AADORA1CYP2C9KDM4EKMT2A
SCHEMBL4319159 0.85 ADORA2A (0.45) ADORA2AADORA1CYP2C9ALDH1A1KDM4E
SCHEMBL4330467 0.83 ALDH1A1 (0.47) ADORA2AADORA1ALDH1A1KDM4EHSD17B10
SCHEMBL4325871 0.82 RAB9A (0.46) ADORA2AADORA1ALDH1A1KDM4EHSD17B10
SCHEMBL13578291 0.79 CYP2C9 (0.47) CYP2C9ALDH1A1KDM4EKMT2AHTT
SCHEMBL4332986 0.78 RAB9A (0.47) ADORA2AADORA1ALDH1A1KDM4EHSD17B10
SCHEMBL4321839 0.78 CNR2 (0.61) ADORA2AADORA1GLS
SCHEMBL4327641 0.77 IDH1 (0.43) ALDH1A1KDM4EKMT2AGAA
SCHEMBL4323392 0.76 GLS (0.43) KMT2AGLS

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 ADORA2A 127/4885ADORA1 164/4885CYP2C9 681/4885

“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.