SCHEMBL2385681

SCHEMBL2385681

Cc1cc(-c2cccs2)nc(N2CCN(C)CC2)n1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
MAPK1 P28482 2/20 0.69
POLB P06746 2/20 0.64
MEN1 O00255 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP3A4 P08684 1/20 0.64
GAA P10253 1/20 0.64
CYP2D6 P10635 1/20 0.64
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPSR1 Q6W5P4 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
LMNA P02545 2/20 0.45

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
SCHEMBL9438505 0.91 KDM4E (0.76) KDM4EMAPK1POLBMEN1CYP1A2
SCHEMBL2383641 0.83 POLB (0.56) KDM4EMAPK1POLBMEN1CYP1A2
SCHEMBL12982629 0.80 KDM4E (0.50) KDM4EMAPK1POLBMEN1CYP1A2
SCHEMBL8171578 0.77 HRH4 (0.65) KDM4EMEN1KMT2AHSD17B10NPSR1
SCHEMBL3347895 0.75 DRD2 (0.61) KDM4EMAPK1POLBMEN1KMT2A
SCHEMBL2385728 0.74 ALDH1A1 (0.54) KDM4EMAPK1POLBMEN1KMT2A
SCHEMBL12336680 0.74 MEN1 (0.62) KDM4EPOLBMEN1CYP1A2CYP2C9
SCHEMBL28634084 0.74 MEN1 (0.62) KDM4EPOLBMEN1CYP1A2CYP2C9
SCHEMBL2385074 0.72 ALDH1A1 (0.63) KDM4EMAPK1POLBMEN1KMT2A
SCHEMBL21398161 0.71 KDM4E (0.63) KDM4EPOLBMEN1CYP1A2CYP2C9

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 KDM4E 1697/4885MAPK1 4549/4885POLB 4593/4885

“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.