SCHEMBL4326314

SCHEMBL4326314

O=C(NCc1ccccn1)c1nc(Cc2cccnc2)n2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 6/20 0.46
GLS O94925 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA2A P29274 4/20 0.42
ADORA2B P29275 4/20 0.42
ADORA3 P0DMS8 3/20 0.42
ADORA1 P30542 2/20 0.42

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
SCHEMBL4332629 0.92 KDM4E (0.48) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4322895 0.90 KDM4E (0.47) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4334816 0.86 KDM4E (0.44) HTTKDM4EALDH1A1HSD17B10GAA
SCHEMBL4330972 0.85 ALDH1A1 (0.46) HTTKDM4EALDH1A1HSD17B10MAPT
SCHEMBL4332310 0.84 ATR (0.47) HTTKDM4EALDH1A1HSD17B10TSHR
SCHEMBL4330467 0.83 ALDH1A1 (0.47) HTTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4325871 0.82 RAB9A (0.46) HTTKDM4EALDH1A1HSD17B10MAPT
SCHEMBL4318744 0.82 KDM4E (0.46) HTTKDM4EALDH1A1HSD17B10MAPT
SCHEMBL4335813 0.81 PDE4A (0.52) NPC1RAB9ASMN1; SMN2ADORA2AADORA1
SCHEMBL4329117 0.80 ROCK2 (0.44) HTTKDM4EALDH1A1HSD17B10MAPT

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 HTT 3877/4885KDM4E 2430/4885ALDH1A1 2838/4885

“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.