SCHEMBL2381815

SCHEMBL2381815

CN1CCN(c2ncnc(-c3cccc(C(F)(F)F)c3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.47
SLC6A7 Q99884 1/20 0.47
MET P08581 2/20 0.46
FYN P06241 1/20 0.46
SCN9A Q15858 1/20 0.45
CTSC P53634 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRAF P15056 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
SCHEMBL2384370 0.84 HRH4 (0.60) HRH4SMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL2385746 0.83 HRH4 (0.63) HRH4SMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL16928245 0.82 SMN1; SMN2 (0.53) HRH4SMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL2382683 0.81 HRH4 (0.76) HRH4SMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL16928196 0.79 SMN1; SMN2 (0.49) HRH4SMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL2384690 0.79 HRH4 (0.76) HRH4SMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL2384612 0.78 HRH4 (0.67) HRH4MET
SCHEMBL2384302 0.78 HRH4 (0.69) HRH4CYP1A2CYP2D6CYP2C19USP2
SCHEMBL2385877 0.77 HRH4 (0.69) HRH4
SCHEMBL4061028 0.77 HRH4 (0.67) HRH4SMN1; SMN2CYP1A2CYP2C19MET

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 1/4885SMN1; SMN2 4811/4885CYP1A2 2697/4885

“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.