SCHEMBL4330972

SCHEMBL4330972

O=C(NCc1nccc2ccccc12)c1nc(Cc2cccnc2)n2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
GAA P10253 1/20 0.43
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL4334816 0.86 KDM4E (0.44) ALDH1A1KDM4EHSD17B10ADORA2AADORA1
SCHEMBL4330467 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10ADORA2AADORA1
SCHEMBL4326314 0.85 HTT (0.47) ALDH1A1KDM4EHSD17B10ADORA2AADORA1
SCHEMBL4322895 0.85 KDM4E (0.47) ALDH1A1KDM4EHSD17B10ADORA2AADORA1
SCHEMBL4319159 0.83 ADORA2A (0.45) ALDH1A1KDM4EHSD17B10ADORA2AADORA1
SCHEMBL4332629 0.83 KDM4E (0.48) ALDH1A1KDM4EHSD17B10ADORA2AADORA1
SCHEMBL4318744 0.80 KDM4E (0.46) ALDH1A1KDM4EHSD17B10ADORA2AADORA1
SCHEMBL4335813 0.78 PDE4A (0.52) ADORA2AADORA1POLBSMN1; SMN2RAB9A
SCHEMBL4332310 0.77 ATR (0.47) ALDH1A1KDM4EHSD17B10ADORA2AADORA1
SCHEMBL4329117 0.77 ROCK2 (0.44) ALDH1A1KDM4EHSD17B10HTTMAPK1

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.