SCHEMBL2384077

SCHEMBL2384077

CN1CCN(c2ccnc(-c3ccc(-c4cccs4)s3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.54
MET P08581 1/20 0.48
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.44
FLT3 P36888 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2385051 0.92 HRH4 (0.59) HRH4METALDH1A1POLBKDM4E
SCHEMBL2384719 0.83 HRH4 (0.59) HRH4ALDH1A1POLBKDM4EMAPK1
SCHEMBL2382009 0.80 HRH4 (0.58) HRH4KDM4ENPC1RAB9AMAPK1
SCHEMBL2384254 0.80 HRH4 (0.58) HRH4ALDH1A1KDM4ERAB9AMAPK1
SCHEMBL2384557 0.77 HRH4 (0.54) HRH4KDM4EMAPK1FLT3MEN1
SCHEMBL2385968 0.76 HRH4 (0.56) HRH4ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2385762 0.76 HRH4 (0.60) HRH4KDM4ENPC1RAB9AMAPK1
SCHEMBL2383629 0.75 HRH4 (0.59) HRH4ALDH1A1RAB9AFLT3MEN1
SCHEMBL2384160 0.74 HRH4 (0.68) HRH4MEN1KMT2AGLAGAA
SCHEMBL2385508 0.72 HRH4 (0.52) HRH4ALDH1A1KDM4ERAB9AMAPK1

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 1/4885MET 261/4885ALDH1A1 3938/4885

“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.