SCHEMBL4658401

SCHEMBL4658401

c1ccc(-c2cccc3ncccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
ACVR1 Q04771 3/20 0.51
P2RX7 Q99572 1/20 0.49
TGFBR1 P36897 1/20 0.49
MAPK14 Q16539 1/20 0.49
ATR Q13535 1/20 0.48
ERN1 O75460 2/20 0.48
GRM4 Q14833 2/20 0.47
HTR2B P41595 1/20 0.47
MTNR1A P48039 1/20 0.47
KCNH2 Q12809 1/20 0.47
PIK3CA P42336 1/20 0.47
TOP1 P11387 1/20 0.47
MCL1 Q07820 1/20 0.47
CYP3A4 P08684 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
SCHEMBL12074247 0.96 CA12 (0.65) CA12CA1CA2CA9KDM4E
SCHEMBL28512547 0.93 CA12 (0.54) CA12CA1CA2CA9KDM4E
SCHEMBL17944843 0.90 CA12 (0.55) CA12CA1CA2CA9KDM4E
SCHEMBL21131910 0.88 CA12 (0.54) CA12CA1CA2CA9ACVR1
SCHEMBL30439957 0.88 TGFBR1 (0.60) KDM4EMAPTACVR1TGFBR1MAPK14
SCHEMBL35327 0.88 TGFBR1 (0.60) KDM4EMAPTACVR1TGFBR1MAPK14
SCHEMBL17343987 0.87 PIK3CA (0.56) CA12CA1CA2CA9ACVR1
SCHEMBL21131947 0.87 CA12 (0.52) CA12CA1CA2CA9ACVR1
SCHEMBL9669763 0.86 CA12 (0.58) CA12CA1CA2CA9KDM4E
SCHEMBL21131883 0.86 CA12 (0.51) CA12CA1CA2CA9ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273948-A1 ORGANIC LIGHT EMITTING DIODE AND DEVICE COMPRISING THE SAME Novaled GmbH (DE) 2023-11-08 EP disclosed
US-20230292595-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-09-14 US disclosed
US-20230292595-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-09-14 US disclosed
US-20230270004-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-08-24 US disclosed
US-20230270004-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-08-24 US disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 US disclosed
EP-4199125-A1 ORGANIC LIGHT EMITTING DIODE, METHOD FOR PREPARING THE SAME AND DEVICE COMPRISING THE SAME Novaled GmbH (DE) 2023-06-21 EP disclosed
US-20070293492-A1 Quinoline Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 US disclosed
CN-101068551-A Quinoline tachykinin receptor antagonists MERCK & CO INC (US) 2007-11-07 CN disclosed
EP-1819342-A1 QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-08-22 EP disclosed
CN-1864445-A Organic electroluminescence device PIONEER CORP (JP) 2006-11-15 CN disclosed
CN-1864444-A Organic electroluminescent device PIONEER CORP (JP) 2006-11-15 CN disclosed
WO-2006060390-A1 QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-06-08 WO disclosed
CN-1260784-A Quinoline derivatives as PDEIV and INF inhibitors DARWIN DISCOVERY LTD (GB) 2000-07-19 CN disclosed
US-6069151-A Quinolines and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-05-30 US disclosed
EP-0993449-A1 QUINOLINE DERIVATIVES AS PDE IV AND/OR TNF INHIBITORS Darwin Discovery Limited (GB) 2000-04-19 EP disclosed
WO-1998057936-A1 QUINOLINE DERIVATIVES AS PDE IV AND/OR TNF INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1998-12-23 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 (2 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-20070293492-A1 Quinoline Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 CA12 3120/4885CA1 1784/4885CA2 2078/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 CA12 3368/4885CA1 2680/4885CA2 2686/4885

“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.