SCHEMBL2384014

SCHEMBL2384014

c1csc(-c2ccnc(N3CCNCC3)n2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
USP2 O75604 4/20 0.50
CYP1A2 P05177 4/20 0.50
CYP3A4 P08684 4/20 0.50
CYP2C9 P11712 4/20 0.50
CASP1 P29466 4/20 0.50
CASP7 P55210 4/20 0.50
HSD17B10 Q99714 4/20 0.50
HCRTR1 O43613 4/20 0.50
HIF1A Q16665 3/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADRB1 P08588 2/20 0.49

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
SCHEMBL2386020 0.95 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2225874 0.77 KMT2A (0.57) ALDH1A1KMT2AKDM4EHPGDADRB1
Hydrochloric Acid SCHEMBL3272283 0.75 ALDH1A1 (0.57) ALDH1A1KMT2AKDM4EHPGDADRB1
SCHEMBL3534834 0.73 SMARCA2 (0.53) ALDH1A1KDM4EGAAADRB1ACHE
SCHEMBL4501470 0.72 ADRB1 (0.59) ALDH1A1KDM4EUSP2CASP1ADRB1
Hydrochloric Acid SCHEMBL3269973 0.72 KDM4E (0.53) ALDH1A1KDM4EADRB1ACHE
SCHEMBL27062787 0.72 HSP90AA1 (0.50) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL13309353 0.72 ADRB1 (0.52) ALDH1A1KDM4ECYP1A2CYP2C9ADRB1
SCHEMBL2382933 0.72 CYP1A2 (0.56) ALDH1A1MEN1KMT2AUSP2CYP1A2
SCHEMBL2248381 0.72 NPC1 (0.75) ALDH1A1MEN1KMT2AKDM4EHPGD

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 ALDH1A1 3938/4885MEN1 1954/4885KMT2A 632/4885

“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.