SCHEMBL2384028

SCHEMBL2384028

CN1CCN(c2ccnc(-c3ccsc3)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.63
ALDH1A1 P00352 6/20 0.63
HSD17B10 Q99714 4/20 0.63
CYP2D6 P10635 4/20 0.63
ALOX15 P16050 1/20 0.63
CYP3A4 P08684 5/20 0.61
USP2 O75604 3/20 0.61
CLK4 Q9HAZ1 2/20 0.61
TSHR P16473 2/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
HTR6 P50406 6/20 0.56
HRH4 Q9H3N8 4/20 0.56
DRD2 P14416 4/20 0.56
HRH3 Q9Y5N1 1/20 0.54
CYP2C19 P33261 3/20 0.52
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL2381878 0.81 CYP1A2 (0.74) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL2384691 0.79 HTR6 (0.66) HTR6HRH4DRD2HRH3KDM4E
SCHEMBL2387125 0.77 HRH4 (0.64) HTR6HRH4DRD2HRH3
SCHEMBL2383996 0.75 CYP1A2 (0.66) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL2383068 0.74 GBA1 (0.64) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL2386722 0.74 CYP1A2 (0.64) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL2384768 0.73 CYP1A2 (0.60) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL2384465 0.72 CYP1A2 (0.58) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15
SCHEMBL8363952 0.72 CYP2A6 (0.40) CYP3A4HTR6HRH4DRD2CYP2C19
SCHEMBL14029975 0.72 HRH4 (0.67) CYP1A2ALDH1A1HSD17B10CYP2D6ALOX15

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 CYP1A2 2697/4885ALDH1A1 3938/4885HSD17B10 3829/4885

“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.