SCHEMBL4327554

SCHEMBL4327554

O=C(Nc1ccccn1)c1nc(-c2cccnc2)n2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.57
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRM5 P41594 7/20 0.46
TSHR P16473 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 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
SCHEMBL13578316 0.90 ATR (0.58) ATRPOLBKMT2ACHRNB2CHRNB4
Trifluoroacetic Acid SCHEMBL4333538 0.85 ATR (0.52) ATRPOLBKMT2ACHRNB2CHRNB4
SCHEMBL4329714 0.84 ATR (0.53) ATRPOLBTSHRNPC1RAB9A
SCHEMBL4325871 0.82 RAB9A (0.46) POLBNPSR1TSHRNPC1RAB9A
SCHEMBL4332310 0.80 ATR (0.47) ATRGRM5TSHRNPC1RAB9A
SCHEMBL13578317 0.80 CHRNB2 (0.48) ATRPOLBGRM5CHRNB2CHRNB4
SCHEMBL13578291 0.79 CYP2C9 (0.47) ATRMEN1KMT2A
SCHEMBL4327243 0.78 ALDH1A1 (0.55) POLBTSHRRAB9AKMT2AADORA2A
SCHEMBL4333122 0.78 CNR2 (0.60) ATRPOLB
SCHEMBL13578325 0.77 ALDH1A1 (0.50) ATRNPSR1NPC1RAB9AMEN1

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 ATR 3829/4885GLA 4115/4885POLB 4655/4885

“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.