SCHEMBL4327243

SCHEMBL4327243

O=C(NCc1cccnc1)c1nc(-c2cccnc2)n2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.50
POLB P06746 2/20 0.50
GAA P10253 1/20 0.49
NAMPT P43490 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
USP2 O75604 1/20 0.48
MMP13 P45452 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.46

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 0.87 ADORA2A (0.46) ALDH1A1KDM4EHSD17B10KMT2AHTT
SCHEMBL4325871 0.86 RAB9A (0.46) ALDH1A1KDM4EHSD17B10KMT2AHTT
SCHEMBL4319159 0.85 ADORA2A (0.45) ALDH1A1KDM4EHSD17B10KMT2ARAB9A
SCHEMBL4332986 0.82 RAB9A (0.47) ALDH1A1KDM4EHSD17B10KMT2ARAB9A
SCHEMBL4327641 0.81 IDH1 (0.43) ALDH1A1KDM4EKMT2AGAASMN1; SMN2
SCHEMBL4323392 0.80 GLS (0.43) KMT2A
SCHEMBL4329714 0.80 ATR (0.53) ALDH1A1KDM4EHSD17B10HTTRAB9A
SCHEMBL4329936 0.79 HTR4 (0.58) ADORA2A
SCHEMBL13578102 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AHTTRAB9A
SCHEMBL4327554 0.78 ATR (0.57) KMT2ARAB9APOLBADORA2ATSHR

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 ALDH1A1 2838/4885KDM4E 2430/4885HSD17B10 4386/4885

“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.