SCHEMBL714450

SCHEMBL714450

[c]1ccc(-c2cnc3ccccc3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.66
PDGFRA P16234 4/20 0.66
CYP2A6 P11509 1/20 0.57
BIRC5 O15392 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
PIK3CD O00329 2/20 0.54
PIK3CA P42336 2/20 0.54
NISCH Q9Y2I1 1/20 0.51
MAP4K4 O95819 1/20 0.49
CSNK1G2 P78368 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
CYP1A2 P05177 1/20 0.48
PIK3CB P42338 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 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
SCHEMBL2772360 0.86 PDGFRB (0.77) PDGFRBPDGFRACYP2A6BIRC5CA12
SCHEMBL32667946 0.86 PDGFRB (0.77) PDGFRBPDGFRACYP2A6BIRC5CA12
SCHEMBL708999 0.84 PDGFRB (0.75) PDGFRBPDGFRACYP2A6BIRC5CA12
SCHEMBL26829682 0.82 PDGFRB (0.72) PDGFRBPDGFRACYP2A6BIRC5CA12
SCHEMBL29375510 0.82 PDGFRB (0.72) PDGFRBPDGFRACYP2A6BIRC5CA12
SCHEMBL24621829 0.82 PDGFRB (0.72) PDGFRBPDGFRACYP2A6BIRC5CA12
SCHEMBL12074709 0.81 PDGFRB (0.70) PDGFRBPDGFRACYP2A6BIRC5CA12
SCHEMBL7260960 0.81 CYP2A6 (0.57) PDGFRBPDGFRACYP2A6BIRC5CA12
SCHEMBL2346887 0.79 PDGFRB (1.00) PDGFRBPDGFRACYP2A6BIRC5CA12
SCHEMBL1928138 0.79 PDGFRB (0.49) PDGFRBPDGFRACYP2A6BIRC5CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN claimed
WO-2003051879-A1 KNOWN AND NOVEL 4,5-DIHYDRO-IMIDAZO[4,5,1-IJ]QUINOLIN-6-ONES USEFUL AS POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ALTANA PHARMA AG (DE) 2003-06-26 WO claimed
EP-0674635-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP claimed
WO-1994014803-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 WO claimed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed
US-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-03-26 US disclosed
CN-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN disclosed
US-20170250352-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-08-31 US disclosed
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 CN disclosed
EP-1482924-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-05-21 EP disclosed
US-7375134-B2 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders AXYS PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2005-10-27 US disclosed
CN-1638757-A Cathepsin cysteine protease inhibitors MERCK FROSST CANADA INC (CA) 2005-07-13 CN disclosed
WO-2003051879-A1 KNOWN AND NOVEL 4,5-DIHYDRO-IMIDAZO[4,5,1-IJ]QUINOLIN-6-ONES USEFUL AS POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ALTANA PHARMA AG (DE) 2003-06-26 WO disclosed
EP-0674635-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS SYNGENTA LTD (GB) 2001-03-28 EP disclosed
EP-0674635-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-10-04 EP disclosed
WO-1994014803-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-07-07 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 (3 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-10243151-B2 Organic semiconductor material and light-emitting element, light-emitting device, lighting system, and electronic device using the same OXA1L, BECN1, MAP1LC3A PDGFRB 4755/4885PDGFRA 4340/4885CYP2A6 2166/4885
US-20170250352-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A PDGFRB 4755/4885PDGFRA 4340/4885CYP2A6 2166/4885
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders CTSE, CTSS, CTSB PDGFRB 885/4885PDGFRA 1966/4885CYP2A6 2847/4885

“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.