SCHEMBL4987108

SCHEMBL4987108

NCCNc1nc(N)nc2c1oc1ccc(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 17/20 0.54
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44

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
SCHEMBL3467740 0.88 HRH4 (0.51) HRH4HRH3KMT2AMEN1RXFP1
SCHEMBL12193774 0.81 HRH4 (0.54) HRH4HRH3KMT2AMEN1RXFP1
SCHEMBL15338301 0.77 HRH4 (0.58) HRH4CYP1A2HRH3
SCHEMBL4573298 0.77 ALDH1A1 (0.62) HRH4HRH3KMT2AALDH1A1LMNA
SCHEMBL12193777 0.75 HRH4 (0.55) HRH4HRH3KMT2AMEN1RXFP1
SCHEMBL14196065 0.75 HRH4 (0.58) HRH4HRH3KMT2AALDH1A1LMNA
SCHEMBL603052 0.74 HRH4 (0.52) HRH4HRH3KMT2AALDH1A1LMNA
SCHEMBL3467207 0.72 HRH4 (0.54) HRH4HRH3
SCHEMBL14318985 0.71 HRH4 (0.84) HRH4HRH3
SCHEMBL602733 0.70 HRH4 (1.00) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US claimed
EP-2040549-B1 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 EP disclosed
US-8030321-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2011-10-04 US disclosed
US-8030321-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2011-10-04 US disclosed
US-20090325927-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor CHAVEZ FRANK 2009-12-31 US disclosed
US-20090325927-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor CHAVEZ FRANK 2009-12-31 US disclosed
US-7576092-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
US-7576092-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
US-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
US-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
WO-2008008359-A2 BENZOFURO-AND BENZOTHIENOPYRYIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 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 (2 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 1/4885CYP1A2 3631/4885CYP2D6 1774/4885
US-20090325927-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor HRH4, HRH1, HRH2 HRH4 1/4885CYP1A2 3631/4885CYP2D6 1774/4885

“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.