SCHEMBL4613600

SCHEMBL4613600

CNCc1c(N)cccc1Br

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.37
CYP3A4 P08684 3/20 0.34
TSHR P16473 2/20 0.34
PIK3CA P42336 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
NOS1 P29475 1/20 0.32
CD44 P16070 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28879852 0.85 TAAR1 (0.43) TAAR1CYP3A4KDM4EMAPTNOS1
SCHEMBL6911041 0.78 ALDH1A1 (0.44) TAAR1CYP3A4KDM4EMAPTALDH1A1
SCHEMBL6204770 0.77 GABRA1 (0.39) TAAR1CYP3A4TSHRPIK3CANOS1
SCHEMBL23526016 0.76 EED (0.40) TAAR1CYP3A4KDM4EMAPTALDH1A1
SCHEMBL29945862 0.76 EED (0.40) TAAR1CYP3A4KDM4EMAPTALDH1A1
SCHEMBL1398159 0.74 TAAR1 (0.37) TAAR1CYP3A4TSHRPIK3CACD44
SCHEMBL30937520 0.74 TAAR1 (0.37) TAAR1CYP3A4TSHRPIK3CACD44
SCHEMBL14253791 0.74 CYP3A4 (0.36) TAAR1CYP3A4TSHRPIK3CAMAPK13
SCHEMBL1372190 0.72 GABRA1 (0.35) TAAR1CYP3A4TSHRPIK3CAMAPK13
SCHEMBL29037467 0.72 CYP3A4 (0.35) TAAR1CYP3A4TSHRPIK3CACD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4067347-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2024-06-19 EP disclosed
EP-4067347-A1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER Genentech, Inc. (US) 2022-10-05 EP disclosed
CN-115028617-A Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2022-09-09 CN disclosed
CN-109476641-B Heterocyclic inhibitors of CBP/EP300 and their use in the treatment of cancer 基因泰克公司 2022-07-05 CN disclosed
US-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-10696655-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2020-06-30 US disclosed
US-10696655-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2020-06-30 US disclosed
US-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-06-28 US disclosed
US-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-06-28 US disclosed
US-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2007-06-28 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
US-7196087-B2 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-03-27 US disclosed
CN-1909909-A 1-benzyl-5-piperazin-1-yl-3, 4 dihydro-1H-quinazolin-2-one derivatives and each of 1H-benzo (1,2,6) thiadiazin-2, 2-dioxide and 1, 4-dihydro-benzo (D) (1,3) oxazin-2-one derivatives as 5-hydroxytryptamine receptor (5-HT) modulators for the treatment of central nervous system diseases HOFFMANN LA ROCHE (CH) 2007-02-07 CN disclosed
EP-1708713-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. Hoffman-la Roche AG (CH) 2006-10-11 EP disclosed
WO-2005067933-A1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D) (1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 WO disclosed
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-07-28 US 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-20070149510-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 TAAR1 2827/4885CYP3A4 49/4885TSHR 2627/4885
US-20050165001-A1 Quinazolinone and benzoxazinone derivatives and uses thereof NQO2, MLX, CYP4X1 TAAR1 2827/4885CYP3A4 49/4885TSHR 2627/4885
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 TAAR1 2000/4885CYP3A4 3953/4885TSHR 1859/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 TAAR1 1930/4885CYP3A4 3958/4885TSHR 1969/4885
US-10696655-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 TAAR1 1930/4885CYP3A4 3958/4885TSHR 1969/4885

“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.