SCHEMBL3220945

SCHEMBL3220945

c1cncc(OCOCOc2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.56
CHRNA4 P43681 7/20 0.56
CHRNA3 P32297 2/20 0.50
CHRNA7 P36544 2/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
CHRNB1 P11230 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRND Q07001 1/20 0.50

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
SCHEMBL12149734 0.88 CHRNB2 (0.54) CHRNB2CHRNA4LMNATDP1
SCHEMBL6326267 0.83 CHRNB2 (0.50) CHRNB2CHRNA4
SCHEMBL392062 0.83 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL2580295 0.82 CHRNB2 (0.53) CHRNB2CHRNA4
Ethane SCHEMBL28825915 0.82 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA3CHRNA7
SCHEMBL31742565 0.81 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA3CHRNA7LMNA
SCHEMBL23745944 0.79 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNA7LMNA
SCHEMBL14351334 0.79 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNA7LMNA
SCHEMBL14351335 0.79 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNA7LMNA
SCHEMBL434891 0.78

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 US disclosed
EP-2086325-A1 PYRIDINE COMPOUNDS FOR COMBATING PESTS BASF SE (DE) 2009-08-12 EP disclosed
WO-2008065145-A1 PYRIDINE COMPOUNDS FOR COMBATING PESTS BASF SE (DE) 2008-06-05 WO 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 CHRNB2 169/4885CHRNA4 70/4885CHRNA3 99/4885

“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.