SCHEMBL4518337

SCHEMBL4518337

Nc1nc(N2C[C@@H]3C[C@H]2CN3)c2oc3cccc(Cl)c3c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 16/20 1.00
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43

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
SCHEMBL4518335 1.00 HRH4 (1.00) HRH4CHRNB2CHRNA4
Trifluoroacetic Acid SCHEMBL2493679 0.92 HRH4 (0.84) HRH4
Trifluoroacetic Acid SCHEMBL2493677 0.92 HRH4 (0.84) HRH4
SCHEMBL606238 0.90 HRH4 (0.81) HRH4CHRNB2CHRNA4
SCHEMBL12193746 0.90 HRH4 (0.81) HRH4CHRNB2CHRNA4
SCHEMBL606237 0.90 HRH4 (0.81) HRH4CHRNB2CHRNA4
SCHEMBL4509812 0.85 HRH4 (1.00) HRH4CHRNB2CHRNA4
SCHEMBL4509806 0.85 HRH4 (1.00) HRH4CHRNB2CHRNA4
SCHEMBL603233 0.85 HRH4 (1.00) HRH4CHRNB2CHRNA4
SCHEMBL13756002 0.85 HRH4 (1.00) HRH4CHRNB2CHRNA4

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
EP-2040549-B1 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 EP claimed
US-7576092-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US claimed
US-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US claimed

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-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor HRH4, HRH1, HRH2 HRH4 1/4885CHRNB2 1794/4885CHRNA4 373/4885

“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.