SCHEMBL2385686

SCHEMBL2385686

CN1CCN(c2ncnc(-c3ccccn3)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.58
HIF1A Q16665 1/20 0.54
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
METAP1 P53582 1/20 0.50
HTR3A P46098 1/20 0.49
F12 P00748 1/20 0.47
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACHE P22303 2/20 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
SCHEMBL2385078 0.87 HRH4 (0.51) HRH4HIF1AALDH1A1SMN1; SMN2METAP1
SCHEMBL2382683 0.80 HRH4 (0.76) HRH4HIF1AALDH1A1SMN1; SMN2HTR3A
SCHEMBL2387088 0.79 HRH4 (0.61) HRH4ALDH1A1HTR3AKDM4ETDP1
SCHEMBL2381880 0.78 HRH4 (0.72) HRH4ALDH1A1HTR3AKDM4E
SCHEMBL2384690 0.78 HRH4 (0.76) HRH4HIF1AALDH1A1SMN1; SMN2HTR3A
SCHEMBL2385670 0.76 CYP1A2 (0.66) HRH4HIF1AALDH1A1HTR3AKDM4E
SCHEMBL26675182 0.76 SMN1; SMN2 (0.53) HRH4HIF1AALDH1A1SMN1; SMN2METAP1
SCHEMBL2386809 0.75 HRH4 (0.57) HRH4HIF1AALDH1A1HTR3AKDM4E
SCHEMBL3616834 0.75 KDM4E (0.77) HIF1AALDH1A1SMN1; SMN2METAP1KDM4E
SCHEMBL2384326 0.75 HRH4 (0.76) HRH4ALDH1A1HTR3A

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 1/4885HIF1A 1874/4885ALDH1A1 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.