SCHEMBL2385751

SCHEMBL2385751

Cc1cccc(-c2cc(N3CCN(C)CC3)ccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.61
MAPKAPK2 P49137 1/20 0.52
S100A4 P26447 1/20 0.49
RAD52 P43351 1/20 0.49
JAK2 O60674 1/20 0.46
EGFR P00533 1/20 0.46
JAK3 P52333 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
HTR6 P50406 1/20 0.44
KCNH2 Q12809 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
CYP2A6 P11509 1/20 0.43

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
SCHEMBL2384540 0.88 HRH4 (0.57) HRH4MAPKAPK2MEN1GLAGAA
SCHEMBL2385040 0.87 HRH4 (0.66) HRH4MAPKAPK2MEN1GLAGAA
Hydrochloric Acid SCHEMBL2383230 0.87 HRH4 (0.56) HRH4MAPKAPK2MEN1GLAGAA
SCHEMBL2385960 0.86 HRH4 (0.61) HRH4MAPKAPK2MEN1GLAGAA
SCHEMBL2384160 0.85 HRH4 (0.68) HRH4MAPKAPK2MEN1GLAGAA
SCHEMBL2383511 0.85 HRH4 (0.60) HRH4MEN1GLAGAAKMT2A
SCHEMBL2383528 0.85 HRH4 (0.60) HRH4MAPKAPK2JAK2MEN1GLA
SCHEMBL2385008 0.84 HRH4 (0.66) HRH4MAPKAPK2MEN1GLAGAA
SCHEMBL2385977 0.83 HRH4 (0.64) HRH4MAPKAPK2MEN1GLAGAA
SCHEMBL2385642 0.83 HRH4 (0.57) HRH4MEN1GLAGAAKMT2A

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 9 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
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 4356/4885S100A4 1366/4885

“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.