SCHEMBL1543989

SCHEMBL1543989

Brc1ccc2nccc(N3CCOCC3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.70
HTT P42858 3/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 1/20 0.53
AHR P35869 1/20 0.53
PIK3CD O00329 2/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CB P42338 2/20 0.49
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
CCR5 P51681 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
PRKDC P78527 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
MET P08581 1/20 0.43

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
SCHEMBL22659058 0.88 NCF1 (0.55) NCF1HTTMAPTMAPK1AHR
SCHEMBL29472100 0.86 NCF1 (0.76) NCF1HTTALDH1A1ADRB2PKM
SCHEMBL22715673 0.86 NCF1 (0.76) NCF1HTTALDH1A1ADRB2PKM
SCHEMBL731691 0.85 NCF1 (0.74) NCF1HTTMAPTPIK3CANPC1
SCHEMBL30734145 0.83 NCF1 (0.67) NCF1HTTMAPTMAPK1AHR
SCHEMBL16549300 0.82 GAA (0.53) NCF1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL3847734 0.82 NCF1 (0.70) NCF1HTTALDH1A1ADRB2PKM
SCHEMBL3849006 0.82 NCF1 (1.00) NCF1HTTADRB2
SCHEMBL21190487 0.80 NCF1 (0.67) NCF1HTTIRAK4ALDH1A1ADRB2
SCHEMBL17579037 0.79 MAPT (0.50) NCF1HTTMAPTMAPK1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11926632-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2024-03-12 US disclosed
EP-4183786-A1 DERIVATIVES OF QUINOLINES AS INHIBITORS OF DYRK1A AND/OR DYRK1B KINASES Felicitex Therapeutics, Inc. (US) 2023-05-24 EP disclosed
EP-4183786-A1 DERIVATIVES OF QUINOLINES AS INHIBITORS OF DYRK1A AND/OR DYRK1B KINASES Felicitex Therapeutics, Inc. (US) 2023-05-24 EP disclosed
EP-4167982-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
EP-3558321-B1 DERIVATIVES OF QUINOLINES AS INHIBITORS OF DYRK1A AND/OR DYRK1B KINASES FELICITEX THERAPEUTICS INC (US) 2023-02-01 EP disclosed
EP-3558321-B1 DERIVATIVES OF QUINOLINES AS INHIBITORS OF DYRK1A AND/OR DYRK1B KINASES FELICITEX THERAPEUTICS INC (US) 2023-02-01 EP disclosed
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP disclosed
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
CN-101023080-A Thiazolinone 4-monosubstituted quinolines HOFFMANN LA ROCHE (CH) 2007-08-22 CN disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 US disclosed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP 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-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS NCF1 374/4885HTT 2757/4885MAPT 4203/4885
US-11926632-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS NCF1 374/4885HTT 2757/4885MAPT 4203/4885
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 NCF1 2427/4885HTT 3939/4885MAPT 2496/4885

“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.