SCHEMBL13578317

SCHEMBL13578317

O=C(Nc1ccncn1)c1nc(-c2ccncc2)n2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
ATR Q13535 1/20 0.47
MAP2K3 P46734 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NAMPT P43490 1/20 0.42
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
GRM5 P41594 1/20 0.39
MPL P40238 2/20 0.39
IDE P14735 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
RAD51 Q06609 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
Trifluoroacetic Acid SCHEMBL4319298 0.94 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL13578325 0.92 ALDH1A1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL13578315 0.91 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL13578316 0.90 ATR (0.58) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL13578324 0.89 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL13578320 0.88 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL13578319 0.87 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ATR
SCHEMBL13578322 0.87 ALDH1A1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4ATR
Trifluoroacetic Acid SCHEMBL4324540 0.86 L3MBTL1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ATR
Trifluoroacetic Acid SCHEMBL4329693 0.86 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ATR

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 1 patent. 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

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 CHRNB2 199/4885CHRNB4 188/4885CHRNA3 102/4885

“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.