SCHEMBL2386809

SCHEMBL2386809

CN1CCN(c2ncnc(-c3cccs3)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.57
LMNA P02545 2/20 0.55
GBA1 P04062 2/20 0.55
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
USP2 O75604 4/20 0.49
CYP1A2 P05177 4/20 0.49
CYP3A4 P08684 4/20 0.49
CASP1 P29466 4/20 0.49
CASP7 P55210 4/20 0.49
HIF1A Q16665 4/20 0.49
HSD17B10 Q99714 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTR3A P46098 1/20 0.48
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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
SCHEMBL2527597 0.84 TDP1 (0.56) LMNAALDH1A1KDM4EMAPK1MEN1
SCHEMBL2382683 0.79 HRH4 (0.76) HRH4ALDH1A1KDM4EMAPK1POLB
SCHEMBL2383211 0.79 HRH4 (0.52) HRH4ALDH1A1MAPK1POLBHTR3A
SCHEMBL2385740 0.78 HRH4 (0.51) HRH4HTR3A
SCHEMBL2386830 0.78 HRH4 (0.61) HRH4ALDH1A1KDM4EUSP2CYP1A2
SCHEMBL2385092 0.78 HRH4 (0.61) HRH4ALDH1A1MAPK1POLBCYP1A2
SCHEMBL2383521 0.78 HRH4 (0.54) HRH4ALDH1A1KDM4EMAPK1POLB
SCHEMBL2385078 0.78 HRH4 (0.51) HRH4ALDH1A1KDM4EPOLBHIF1A
SCHEMBL2383068 0.77 GBA1 (0.64) HRH4LMNAGBA1ALDH1A1KDM4E
SCHEMBL2381880 0.77 HRH4 (0.72) HRH4LMNAALDH1A1KDM4EMAPK1

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 1/4885LMNA 4600/4885GBA1 2889/4885

“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.