SCHEMBL2385960

SCHEMBL2385960

CN1CCN(c2ccnc(-c3cccc(-c4ccccc4)c3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.61
ALK Q9UM73 2/20 0.52
MAPKAPK2 P49137 1/20 0.49
MAP4K1 Q92918 1/20 0.47
TP53BP1 Q12888 2/20 0.46
MELK Q14680 1/20 0.46
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRA2C P18825 1/20 0.45
RIPK3 Q9Y572 1/20 0.45
HTR3A P46098 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
SCHEMBL2385977 0.92 HRH4 (0.64) HRH4ALKMAPKAPK2MAP4K1MELK
SCHEMBL2384160 0.91 HRH4 (0.68) HRH4MAPKAPK2MAP4K1MELKMEN1
SCHEMBL2384540 0.91 HRH4 (0.57) HRH4ALKMAPKAPK2MAP4K1MEN1
SCHEMBL2383986 0.90 HRH4 (0.56) HRH4ALKMAPKAPK2
SCHEMBL2384565 0.90 HRH4 (0.56) HRH4ALKMAPKAPK2HTR1AHTR7
Hydrochloric Acid SCHEMBL2383230 0.90 HRH4 (0.56) HRH4ALKMAPKAPK2MAP4K1MEN1
SCHEMBL2384246 0.88 CHEK1 (0.59) HRH4ALKMAP4K1TP53BP1
SCHEMBL2385134 0.87 HRH4 (0.54) HRH4ALKMAPKAPK2MAP4K1KMT2A
SCHEMBL2384387 0.87 HRH4 (0.54) HRH4ALKMAPKAPK2MAP4K1MEN1
SCHEMBL2386125 0.86 HRH4 (0.53) HRH4ALKMAP4K1HTR1AHTR7

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 1/4885ALK 761/4885MAPKAPK2 4356/4885

“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.