SCHEMBL12438899

SCHEMBL12438899

c1ccc(-c2nnc(-c3ccccn3)[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.59
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
HPGDS O60760 3/20 0.51
BTK Q06187 1/20 0.49
LMNA P02545 5/20 0.48
METAP1 P53582 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HIF1A Q16665 2/20 0.48
POLB P06746 2/20 0.48
CYP1A2 P05177 1/20 0.48
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
BLM P54132 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
PKM P14618 4/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL5478697 0.90 KDM4E (0.59) NPY5RNPC1RAB9ASMN1; SMN2BTK
SCHEMBL16128032 0.88 SMN1; SMN2 (0.58) NPY5RNPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL28205258 0.86 METAP1 (0.50) NPY5RNPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL9111577 0.86 NPY5R (0.45) NPY5RNPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL19611704 0.84 TGFBR1 (0.57) NPY5RNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL28014813 0.82 SMN1; SMN2 (0.59) NPY5RNPC1RAB9ASMN1; SMN2BTK
SCHEMBL28043674 0.82 CBFB (0.53) NPY5RKMT2AMETAP2L3MBTL1ALDH1A1
SCHEMBL9109396 0.82 NPY5R (0.42) NPY5RNPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL416443 0.82 METAP2 (0.53) NPY5RNPC1RAB9ASMN1; SMN2HPGDS
SCHEMBL384952 0.81 NPC1 (0.61) NPY5RNPC1RAB9ASMN1; SMN2HPGDS

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167303-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex UDC IRELAND LIMITED (IE) 2019-01-01 US disclosed
EP-2802594-B1 METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
US-20170044194-A1 Metal Complexes with Dibenzo[f,h]quinoxalines UDC IRELAND LTD (IE) 2017-02-16 US disclosed
US-20170044194-A1 Metal Complexes with Dibenzo[f,h]quinoxalines UDC IRELAND LTD (IE) 2017-02-16 US disclosed
US-9472762-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex UDC IRELAND LIMITED (IE) 2016-10-18 US disclosed
US-9472762-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex UDC IRELAND LIMITED (IE) 2016-10-18 US disclosed
US-9362510-B2 Electroluminescent metal complexes with benzotriazoles BASF SE (DE) 2016-06-07 US disclosed
US-9362510-B2 Electroluminescent metal complexes with benzotriazoles BASF SE (DE) 2016-06-07 US disclosed
US-9012899-B2 Electroluminescent metal complexes with nucleophilic carbene ligands BASF SE (DE) 2015-04-21 US disclosed
US-9012899-B2 Electroluminescent metal complexes with nucleophilic carbene ligands BASF SE (DE) 2015-04-21 US disclosed
US-20110089407-A1 ELECTROLUMINISCENT METAL COMPLEXES WITH DIBENZO[F,H] QUINOXALINES BASF SE (DE) 2011-04-21 US disclosed
EP-2112994-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES BASF SE (DE) 2011-01-26 EP disclosed
US-20100108994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES UDC IRELAND LIMITED (IE) 2010-05-06 US disclosed
US-20100108994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES UDC IRELAND LIMITED (IE) 2010-05-06 US disclosed
WO-2010037667-A1 COMPLEX SALTS BASF SE (DE) 2010-04-08 WO disclosed
WO-2010031738-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH AZAPYRENES BASF SE (DE) 2010-03-25 WO disclosed
WO-2009100991-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES BASF SE (DE) 2009-08-20 WO disclosed
EP-2080796-A1 Electroluminescent metal complexes with nucleophilic carbene ligands Ciba Holding Inc. (CH) 2009-07-22 EP disclosed
WO-2008101842-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES BASF SE (CH) 2008-08-28 WO disclosed
US-7390595-B2 Method of preparing a crosslinked polymer in an electrolyte composition FUJIFILM CORPORATION (JP) 2008-06-24 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 (4 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-10167303-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex NDUFS5, DDT, NDUFV2 NPY5R 3257/4885NPC1 4669/4885RAB9A 1151/4885
US-20100108994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES OCIAD1, OCIAD2, OXA1L NPY5R 3047/4885NPC1 4461/4885RAB9A 4679/4885
US-20170044194-A1 Metal Complexes with Dibenzo[f,h]quinoxalines NDUFS2, OCIAD2, NDUFS3 NPY5R 3897/4885NPC1 3696/4885RAB9A 717/4885
US-20110089407-A1 ELECTROLUMINISCENT METAL COMPLEXES WITH DIBENZO[F,H] QUINOXALINES NDUFS2, NDUFS5, NDUFS3 NPY5R 3497/4885NPC1 4653/4885RAB9A 879/4885

“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.