SCHEMBL4184952

SCHEMBL4184952

Cc1cc(Br)cc2c(Cl)nc(Cl)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
NQO2 P16083 2/20 0.40
PARP4 Q9UKK3 2/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
HTT P42858 1/20 0.35
EGFR P00533 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGFR P43088 1/20 0.31
DDR1 Q08345 2/20 0.30
ACHE P22303 2/20 0.30
GRIN1 Q05586 2/20 0.30

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
SCHEMBL23117576 0.85 NQO2 (0.43) DHODHNQO2PARP4PARP1PARP2
SCHEMBL4172267 0.81 PARP1 (0.44) DHODHPARP1HTTALDH1A1
SCHEMBL27101009 0.81 PDE10A (0.36) HTTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22101272 0.80 PARP4 (0.38) DHODHNQO2PARP4PARP1PARP2
SCHEMBL30504349 0.79 HTT (0.36) HTT
SCHEMBL22101462 0.79 HTT (0.36) HTT
SCHEMBL18053170 0.78 HTT (0.35) HTT
SCHEMBL16167165 0.77 NQO2 (0.44) NQO2HTTALDH1A1RXFP1
SCHEMBL24616365 0.76
SCHEMBL1129623 0.76 LMNA (0.44) DHODHNQO2PARP4PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210113578-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC 2021-04-22 US disclosed
US-20210113578-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC 2021-04-22 US disclosed
US-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES ENCEFA (FR) 2021-03-25 US disclosed
US-10912779-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways ASANA BIOSCIENCES, LLC (US) 2021-02-09 US disclosed
US-10912779-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways ASANA BIOSCIENCES, LLC (US) 2021-02-09 US disclosed
US-10869872-B2 2020-12-22 US disclosed
US-10869872-B2 2020-12-22 US disclosed
CN-111108127-A Compounds that specifically bind CD38 for use in the treatment of neurodegenerative and inflammatory diseases ENCEFA公司 2020-05-05 CN disclosed
US-20190151327-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC 2019-05-23 US disclosed
US-20190151327-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC 2019-05-23 US disclosed
US-9499495-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways ASANA BIOSCIENCES, LLC (US) 2016-11-22 US disclosed
US-9499495-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways ASANA BIOSCIENCES, LLC (US) 2016-11-22 US disclosed
US-20160068496-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-03-10 US disclosed
US-20160068496-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-03-10 US disclosed
US-20160068496-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-03-10 US disclosed
EP-2984088-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS Asana BioSciences, LLC (US) 2016-02-17 EP disclosed
WO-2014169167-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC (US) 2014-10-16 WO disclosed
WO-2014169167-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS ASANA BIOSCIENCES, LLC (US) 2014-10-16 WO disclosed
US-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2009-01-01 US disclosed
WO-2008086462-A2 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2008-07-17 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 (7 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-20160068496-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS NRAS, KRAS, BRAF DHODH 3297/4885NQO2 335/4885PARP4 1523/4885
US-20210087290-A1 COMPOUNDS WHICH SPECIFICALLY BIND TO CD38 FOR USE IN THE TREATMENT OF NEURODEGENERATIVE AND INFLAMMATORY DISEASES CD38, TRPC1, TRPC4 DHODH 1718/4885NQO2 619/4885PARP4 182/4885
US-20190151327-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS NRAS, KRAS, BRAF DHODH 3280/4885NQO2 340/4885PARP4 1552/4885
US-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS TCF4, CTNNB1, TCF7 DHODH 2076/4885NQO2 119/4885PARP4 254/4885
US-10869872-B2 NRAS, KRAS, BRAF DHODH 3247/4885NQO2 562/4885PARP4 1972/4885
US-20210113578-A1 QUINAZOLINES AND AZAQUINAZOLINES AS DUAL INHIBITORS OF RAS/RAF/MEK/ERK AND PI3K/AKT/PTEN/MTOR PATHWAYS NRAS, KRAS, BRAF DHODH 3280/4885NQO2 340/4885PARP4 1552/4885
US-10912779-B2 Quinazolines and azaquinazolines as dual inhibitors of RAS/RAF/MEK/ERK and PI3K/AKT/PTEN/mTOR pathways NRAS, KRAS, BRAF DHODH 3280/4885NQO2 340/4885PARP4 1552/4885

“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.