SCHEMBL2384339

SCHEMBL2384339

CN1CCN(c2ncnc(-c3sccc3Br)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.54
HTR3A P46098 3/20 0.43
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL2381879 0.95 HRH4 (0.50) HRH4HTR3AHRH3KMT2AMAPT
SCHEMBL2385612 0.85 HRH4 (0.56) HRH4HTR3AKMT2AMAPTTSHR
SCHEMBL2385679 0.84 HRH4 (0.61) HRH4HTR3AHRH3
SCHEMBL2385881 0.81 HRH4 (0.47) HRH4HTR3AHRH3KMT2AMAPT
SCHEMBL2384436 0.76 HRH4 (0.74) HRH4HTR3AHRH3MAPTHTT
SCHEMBL2383521 0.76 HRH4 (0.54) HRH4HTR3AHRH3KMT2AMAPT
SCHEMBL2385740 0.76 HRH4 (0.51) HRH4HTR3AHRH3MAPTHTT
SCHEMBL2386809 0.75 HRH4 (0.57) HRH4HTR3AKMT2AMAPK1
SCHEMBL2382683 0.74 HRH4 (0.76) HRH4HTR3AKMT2AMAPTTSHR
SCHEMBL4055646 0.73 HRH4 (0.57) HRH4HTR3AHRH3MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009035671-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROARYL DERIVATIVES USEFUL AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO claimed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US claimed
US-8022209-B2 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-09-20 US disclosed
US-8022209-B2 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-09-20 US disclosed
US-8022209-B2 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-09-20 US disclosed
WO-2009035671-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROARYL DERIVATIVES USEFUL AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO disclosed
WO-2009035671-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROARYL DERIVATIVES USEFUL AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 WO disclosed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US disclosed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US disclosed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 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-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor HRH4, HRH3, HRH2 HRH4 1/4885HTR3A 14/4885HRH3 2/4885

“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.