SCHEMBL2912192

SCHEMBL2912192

CCOc1ccc(N)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
KDM4E B2RXH2 3/20 0.59
GAA P10253 3/20 0.59
HPGD P15428 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 3/20 0.47
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.46
USP2 O75604 2/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL1641040 0.84 MAPT (0.59) MAPTKDM4EGAAHPGDTDP1
SCHEMBL11133841 0.83 KDM4E (0.54) MAPTKDM4EGAAHPGDTDP1
Hydrochloric Acid SCHEMBL109341 0.82 MAPT (0.62) MAPTKDM4EGAAHPGDTDP1
SCHEMBL7865740 0.82 MAPT (0.58) MAPTKDM4EGAAL3MBTL1TSHR
SCHEMBL112468 0.81 MAPT (0.78) MAPTKDM4EGAAHPGDTDP1
SCHEMBL31095359 0.81 MAPT (0.78) MAPTKDM4EGAAHPGDTDP1
SCHEMBL29886935 0.81 MAPT (0.43) MAPTKDM4EGAAHPGDTDP1
SCHEMBL28412157 0.80 TSHR (0.53) MAPTKDM4EGAAHPGDTDP1
SCHEMBL29720318 0.80 F2 (0.50) MAPTKDM4EGAAHPGDTDP1
SCHEMBL27677396 0.80 MAPT (0.42) MAPTKDM4EGAAHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026026-B Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof 夸德里加生物科学公司 2021-02-09 CN disclosed
US-20190185413-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2019-06-20 US disclosed
US-10246406-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof QUADRIGA BIOSCIENCES, INC. (US) 2019-04-02 US disclosed
US-20180297935-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2018-10-18 US disclosed
US-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof QUADRIGA BIOSCIENCES, INC. (US) 2018-07-10 US disclosed
US-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof QUADRIGA BIOSCIENCES, INC. (US) 2018-07-10 US disclosed
EP-3331851-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF Quadriga Biosciences, Inc. (US) 2018-06-13 EP disclosed
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2017-12-21 US disclosed
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2017-12-21 US disclosed
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2017-12-21 US disclosed
WO-2005019201-A2 PROCESS FOR THE PREPARATION OF 4-AMINO-3-QUINOLINECARBONITRILES WYETH HOLDINGS CORPORATION (US) 2005-03-03 WO disclosed
US-20050043537-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles WYETH HOLDINGS CORPORATION (US) 2005-02-24 US disclosed
EP-1019410-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2000-07-19 EP disclosed
US-6060469-A Spiro-piperidine derivatives and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2000-05-09 US disclosed
US-5688654-A GAMMA-AMINOBUTYRIC ACID NEUROGEN CORPORATION (US) 1997-11-18 US disclosed
EP-0639275-B1 NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES NEUROGEN CORP (US) 1997-09-17 EP disclosed
WO-1997019084-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO disclosed
US-5597920-A Gabaa receptor subtypes and methods for screening drug compounds using imidazoquinoxalines and pyrrolopyrimidines to bind to gabaa receptor subtypes NEUROGEN CORPORATION (US) 1997-01-28 US disclosed
EP-0639275-A1 NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES. NEUROGEN CORP (US) 1995-02-22 EP disclosed
WO-1993022681-A1 NOVEL GABAa RECEPTOR SUBTYPES AND METHODS FOR SCREENING DRUG COMPOUNDS USING IMIDAZOQUINOXALINES AND PYRROLOPYRIMIDINES TO BIND TO GABAa RECEPTOR SUBTYPES NEUROGEN CORPORATION (US) 1993-11-11 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 (6 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-10017459-B2 β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof SLC7A1, SLC3A2, SLC43A1 MAPT 1956/4885KDM4E 4412/4885GAA 1295/4885
US-20180297935-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 MAPT 1800/4885KDM4E 4466/4885GAA 1322/4885
US-20170362166-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 MAPT 1800/4885KDM4E 4466/4885GAA 1322/4885
US-20050043537-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles BTF3, PTMS, BCAT2 MAPT 2805/4885KDM4E 1656/4885GAA 4651/4885
US-10246406-B2 Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof SLC3A2, SLC7A1, SLC43A1 MAPT 1800/4885KDM4E 4466/4885GAA 1322/4885
US-20190185413-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 MAPT 1800/4885KDM4E 4466/4885GAA 1322/4885

“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.