SCHEMBL1616928

SCHEMBL1616928

Cc1cn(-c2ccc(N)cc2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 1/20 0.46
PSEN1 P49768 16/20 0.42
PSEN2 P49810 16/20 0.42
APH1B Q8WW43 16/20 0.42
NCSTN Q92542 16/20 0.42
APH1A Q96BI3 16/20 0.42
PSENEN Q9NZ42 16/20 0.42
USP30 Q70CQ3 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3433157 0.86 ALDH1A1 (0.41) NR2E1USP30ALDH1A1LMNAMAPT
SCHEMBL1616168 0.83 ALDH1A1 (0.49) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL6127819 0.83 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7935796 0.81 TSHR (0.43) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL1616782 0.81 PSEN1 (0.45) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL20085589 0.81 MAPT (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29878133 0.81 MAPT (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16923520 0.80 NR2E1 (0.43) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL1927286 0.80 NR2E1 (0.52) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL28980187 0.80 ALDH1A1 (0.49) NR2E1PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481829-B1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-04-07 EP disclosed
US-10669276-B2 Fused pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 US disclosed
US-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US disclosed
EP-2958919-B1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
EP-3481829-A1 FUSED PYRIMIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2019-05-15 EP disclosed
WO-2018007331-A1 FUSED PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-11 WO disclosed
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 US disclosed
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. 2017-02-16 US disclosed
US-6734200-B1 ANTIBIOTIC COMPOUNDS CONTAINING A SUBSTITUTED OXAZOLIDINONE RING; ACTIVITY AGAINST GRAM-POSITIVE PATHOGENS ASTRAZENECA AB (SE) 2004-05-11 US disclosed
US-20030216373-A1 Oxazolidinone derivatives with antibiotic activity ASTRAZENECA AB (SE) 2003-11-20 US disclosed
US-20030207899-A1 Heterocyclylaminomethyloxazo-lidinones as antibacterials ASTRAZENECA AB (SE) 2003-11-06 US disclosed
US-6617339-B1 5-Isoxazolyloxymethyl-3-((dihydroxypropanoyl)-4-tetrahydropyri dyl-3,5- difluorophenyl)oxazolidinone, or the phosphated derivative or its disodium salt; antibiotic with useful activity against Grampositive pathogens SYNGENTA LIMITED (GB) 2003-09-09 US disclosed
CN-1437603-A Oxazolidinone derivatives with antibiotic activity ASTRAZENECA AB (SE) 2003-08-20 CN disclosed
US-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them SYNGENTA LIMITED (GB) 2003-07-31 US disclosed
CN-1322203-A Heterocyclic aminomethyl oxazolidinones as antibacterial agents ASTRA ZENECA N V (SE) 2001-11-14 CN disclosed
CN-1311787-A oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them ASTRA ZENECA CO LTD (SE) 2001-09-05 CN disclosed
EP-1082323-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca UK Limited (GB) 2001-03-14 EP disclosed
WO-1999064417-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 1999-12-16 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-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them CYP3A5, CYP2D6, OXA1L NR2E1 1608/4885PSEN1 2690/4885PSEN2 2820/4885
US-20170044182-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF SMN1; SMN2, FUS, SYNCRIP NR2E1 2871/4885PSEN1 187/4885PSEN2 42/4885
US-20190256517-A1 FUSED PYRIMIDINE DERIVATIVES C9, APP, HPGDS NR2E1 3715/4885PSEN1 16/4885PSEN2 32/4885
US-10669276-B2 Fused pyrimidine derivatives APP, APOB, C9 NR2E1 3361/4885PSEN1 11/4885PSEN2 18/4885
US-20030216373-A1 Oxazolidinone derivatives with antibiotic activity STS, SULT1E1, OXA1L NR2E1 373/4885PSEN1 3839/4885PSEN2 4263/4885
US-20030207899-A1 Heterocyclylaminomethyloxazo-lidinones as antibacterials HDHD5, CYP8B1, LSS NR2E1 819/4885PSEN1 4562/4885PSEN2 4831/4885

“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.