SCHEMBL2385876

SCHEMBL2385876

CN1CCN(c2ccnc(-c3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
RAB9A P51151 1/20 0.53
HASPIN Q8TF76 1/20 0.50
POLB P06746 2/20 0.48
WDR5 P61964 1/20 0.48
AOC3 Q16853 1/20 0.48
SLC6A7 Q99884 3/20 0.47
HDAC1 Q13547 2/20 0.47
KDM1A O60341 1/20 0.47
TGFBR1 P36897 1/20 0.47
TP53BP1 Q12888 2/20 0.46
ERN1 O75460 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
PLK4 O00444 1/20 0.46
JAK2 O60674 1/20 0.46
MAP4K4 O95819 1/20 0.46

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
SCHEMBL2386387 0.91 POLB (0.51) HPGDPOLBSLC6A7TP53BP1MAPK1
SCHEMBL2384246 0.84 CHEK1 (0.59) HDAC1KDM1ATP53BP1HRH4
SCHEMBL2385778 0.83 TP53BP1 (0.57) HDAC1KDM1ATP53BP1HRH4MAP4K4
SCHEMBL2385960 0.79 HRH4 (0.61) KMT2AMEN1TP53BP1HRH4
SCHEMBL2384044 0.79 JMJD6 (0.49) HDAC1KDM1ATP53BP1MAPK1HRH4
SCHEMBL2384540 0.79 HRH4 (0.57) KMT2AMEN1HRH4
SCHEMBL2382828 0.78 JAK2 (0.57) TP53BP1HRH4JAK2KDR
SCHEMBL2384565 0.78 HRH4 (0.56) HPGDPOLBMAPK1HRH4
SCHEMBL2383986 0.78 HRH4 (0.56) HRH4
Hydrochloric Acid SCHEMBL2383230 0.78 HRH4 (0.56) KMT2AMEN1HRH4

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 HPGD 296/4885KMT2A 632/4885MEN1 1954/4885

“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.