SCHEMBL1770981

SCHEMBL1770981

O=c1cc(Br)c2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.62
TNKS2 Q9H2K2 2/20 0.62
CYP2C19 P33261 1/20 0.62
KDM4E B2RXH2 11/20 0.60
ALDH1A1 P00352 6/20 0.60
HPGD P15428 3/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
ATM Q13315 1/20 0.50
AR P10275 1/20 0.47
HSD17B10 Q99714 4/20 0.47
GPR3 P46089 2/20 0.47
PARP1 P09874 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TNKS O95271 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
SCHEMBL31688848 1.00 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL377796 0.77 TNKS2 (1.00) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL29650180 0.77 TNKS2 (1.00) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL13429142 0.76 CYP1A2 (0.49) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL2084671 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL6827495 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL19751533 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL450729 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL31169726 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL1193735 0.75 KDM4E (1.00) CYP1A2TNKS2CYP2C19KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946000-A Synthesis method of 1-methyl-2-oxo-1, 2-dihydro-4-quinolinecarboxylic acid methyl ester 南通大学 2024-04-30 CN claimed
CN-117946000-A Synthesis method of 1-methyl-2-oxo-1, 2-dihydro-4-quinolinecarboxylic acid methyl ester 南通大学 2024-04-30 CN disclosed
CN-117659025-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-03-08 CN disclosed
CN-117586108-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 CN disclosed
CN-117586191-A TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2024-02-23 CN disclosed
CN-111542515-B TOLL-like receptor 8 (TLR 8) specific antagonists, methods of making and uses thereof 科罗拉多州立大学董事会法人团体 2023-12-05 CN disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
CN-112574159-B Coumarin derivatives and analogs, and preparation method and application thereof 成都赜灵生物医药科技有限公司 2023-03-21 CN disclosed
US-20220241281-A1 Imidazopyrimidine Derivatives GILEAD SCIENCES, INC. 2022-08-04 US disclosed
US-11179397-B2 Imidazopyrimidine derivatives GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin LIGAND PHARMACEUTICALS, INC. 2005-12-29 US disclosed
US-6964973-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-11-15 US disclosed
WO-2005018573-A2 6-CYCLOAMINO-2-QUINOLINONE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-03-03 WO disclosed
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US disclosed
US-6566372-B1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer LIGAND PHARMACEUTICALS INCORPORATED 2003-05-20 US disclosed
US-20030069271-A1 Quinolone compounds for use in treating viral infections SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
EP-1244629-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2002-10-02 EP disclosed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001046150-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 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 (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-20220241281-A1 Imidazopyrimidine Derivatives DPYD, KRAS, ABL1 CYP1A2 698/4885TNKS2 829/4885CYP2C19 127/4885
US-20030069271-A1 Quinolone compounds for use in treating viral infections IRF3, MAVS, NQO2 CYP1A2 174/4885TNKS2 1323/4885CYP2C19 374/4885
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin FSHR, CYP19A1, ESR2 CYP1A2 377/4885TNKS2 3561/4885CYP2C19 372/4885
US-11179397-B2 Imidazopyrimidine derivatives DPYD, KRAS, ABL1 CYP1A2 698/4885TNKS2 829/4885CYP2C19 127/4885
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR CYP1A2 193/4885TNKS2 2237/4885CYP2C19 275/4885

“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.