SCHEMBL3579261

SCHEMBL3579261

OC(c1ccccc1)c1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.59
HTT P42858 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
XBP1 P17861 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
ADORA1 P30542 1/20 0.50
LMNA P02545 1/20 0.49
ACP1 P24666 1/20 0.46
PDE5A O76074 2/20 0.45
ABCG2 Q9UNQ0 4/20 0.45
TACR3 P29371 1/20 0.45
MAPK1 P28482 1/20 0.44
ADORA3 P0DMS8 1/20 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
SCHEMBL22201525 0.79 LMNA (0.56) ADORA2AMEN1KMT2AMAPTLMNA
SCHEMBL13798093 0.77 HTT (0.59) HTTNPC1RAB9AXBP1NPSR1
SCHEMBL10505897 0.74 HTT (0.52) HTTNPC1RAB9AXBP1NPSR1
SCHEMBL3584983 0.72 KMT2A (0.50) ADORA2ANPC1RAB9ANPSR1ATM
SCHEMBL7221673 0.72 ADORA2A (0.60) ADORA2AADORA1LMNATACR3
SCHEMBL1064852 0.72 CYP1A2 (0.51) HTTNPC1RAB9AXBP1NPSR1
SCHEMBL1062734 0.72 TGFBR1 (0.50) HTTNPC1RAB9AXBP1NPSR1
SCHEMBL2837651 0.71 ABCG2 (0.54) ATMMEN1KMT2AMAPTACP1
SCHEMBL2876724 0.71 ABCG2 (0.53) ATMMEN1KMT2AACP1PDE5A
SCHEMBL29870133 0.71 ABCG2 (0.54) ATMMEN1KMT2AMAPTACP1

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
EP-2061764-B1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) TECHNION RES & DEV FOUNDATION (IL) 2014-07-02 EP disclosed
EP-2061764-B1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) TECHNION RES & DEV FOUNDATION (IL) 2014-07-02 EP disclosed
US-8541428-B2 Heterocyclic derivatives, pharmaceutical compositions and methods of use thereof TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2013-09-24 US disclosed
US-8541428-B2 Heterocyclic derivatives, pharmaceutical compositions and methods of use thereof TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2013-09-24 US disclosed
EP-2589597-A2 Heterocyclic derivatives binding to the peripheral-type benzodiazepine receptor (PBR) Technion Research & Development Foundation (IL) 2013-05-08 EP disclosed
EP-2589597-A2 Heterocyclic derivatives binding to the peripheral-type benzodiazepine receptor (PBR) Technion Research & Development Foundation (IL) 2013-05-08 EP disclosed
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-02-04 US disclosed
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-02-04 US disclosed
EP-2061764-A1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) Technion Research & Development Foundation LTD. (IL) 2009-05-27 EP disclosed
WO-2008023357-A1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2008-02-28 WO 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-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF NQO1, SIRT5, KEAP1 ADORA2A 975/4885HTT 43/4885NPC1 1106/4885

“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.