SCHEMBL2383528

SCHEMBL2383528

CN1CCN(c2ccnc(-c3cccc(Cl)c3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.60
MAPKAPK2 P49137 1/20 0.53
ADORA3 P0DMS8 1/20 0.52
ADORA1 P30542 1/20 0.52
CDK4 P11802 1/20 0.48
CCND3 P30281 1/20 0.48
GSK3B P49841 1/20 0.48
JAK2 O60674 1/20 0.47
CAMK2D Q13557 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 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
SCHEMBL2383986 0.88 HRH4 (0.56) HRH4MAPKAPK2ADORA3ADORA1HRH2
SCHEMBL2385960 0.85 HRH4 (0.61) HRH4MAPKAPK2GAAMEN1GLA
SCHEMBL2385751 0.85 HRH4 (0.61) HRH4MAPKAPK2JAK2GAAMEN1
SCHEMBL2384160 0.84 HRH4 (0.68) HRH4MAPKAPK2GAAMEN1GLA
SCHEMBL2385108 0.84 HRH4 (0.52) HRH4MAPKAPK2ADORA3ADORA1CDK4
SCHEMBL2383511 0.84 HRH4 (0.60) HRH4ADORA3ADORA1GAAMEN1
SCHEMBL2385997 0.83 HRH4 (0.53) HRH4GAALMNAMEN1GLA
SCHEMBL12257886 0.82 HRH4 (0.61) HRH4ADORA3ADORA1GAALMNA
SCHEMBL2385977 0.82 HRH4 (0.64) HRH4MAPKAPK2GAAMEN1GLA
SCHEMBL2385642 0.82 HRH4 (0.57) HRH4GAAMEN1GLAKMT2A

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 1/4885MAPKAPK2 4356/4885ADORA3 47/4885

“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.