SCHEMBL669494

SCHEMBL669494

CC(C)(C)c1nc(-c2ccccc2)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.55
NR1H3 Q13133 7/20 0.55
HPGDS O60760 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
AOC3 Q16853 2/20 0.48
LMNA P02545 1/20 0.46
DGAT1 O75907 1/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALPL P05186 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADORA2A P29274 1/20 0.45
PDK2 Q15119 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL13233285 0.83 KDM4E (0.49) HPGDSNPC1RAB9AAOC3LMNA
SCHEMBL2225604 0.81 NR1H2 (0.47) NR1H2NR1H3HPGDSNPC1RAB9A
SCHEMBL2225445 0.81 NR1H2 (0.47) NR1H2NR1H3HPGDSNPC1RAB9A
SCHEMBL11642290 0.81 NR1H2 (0.55) NR1H2NR1H3HPGDSNPC1RAB9A
SCHEMBL28115645 0.77 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL23302551 0.74 NR1H2 (0.71) NR1H2NR1H3HPGDSNPC1RAB9A
SCHEMBL1436121 0.74 NR1H2 (0.61) NR1H2NR1H3HPGDSNPC1RAB9A
SCHEMBL27428862 0.74 NR1H2 (0.61) NR1H2NR1H3HPGDSNPC1RAB9A
SCHEMBL4512903 0.73 NR1H2 (0.69) NR1H2NR1H3HPGDSNPC1RAB9A
SCHEMBL15606734 0.73 NR1H2 (0.69) NR1H2NR1H3HPGDSNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012024132-A2 SOLUTION-PROCESSABLE ELECTRON-TRANSPORT MATERIALS AND RELATED ORGANIC OPTOELECTRONIC DEVICES UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2012-02-23 WO claimed
CN-114751926-A Light-emitting compound, and organic light-emitting diode and organic light-emitting device having the same 乐金显示有限公司 2022-07-15 CN disclosed
CN-106935711-B Organic light emitting apparatus 乐金显示有限公司 2018-12-14 CN disclosed
CN-106784343-B Organic light-emitting display device 乐金显示有限公司 2018-10-09 CN disclosed
CN-107340557-A Display device 三星显示有限公司 2017-11-10 CN disclosed
CN-106935711-A Organic light emitting apparatus 乐金显示有限公司 2017-07-07 CN disclosed
CN-106898630-A Organic light emitting display device 乐金显示有限公司 2017-06-27 CN disclosed
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 US disclosed
CN-106784343-A Organic light-emitting display device 乐金显示有限公司 2017-05-31 CN disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 US disclosed
US-7453002-B2 thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 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 (5 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 NR1H2 450/4885NR1H3 467/4885HPGDS 4249/4885
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 NR1H2 2005/4885NR1H3 1819/4885HPGDS 910/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 NR1H2 450/4885NR1H3 467/4885HPGDS 4249/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 NR1H2 450/4885NR1H3 467/4885HPGDS 4249/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 NR1H2 2005/4885NR1H3 1819/4885HPGDS 910/4885

“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.