SCHEMBL971178

SCHEMBL971178

COc1cc(F)c([N+](=O)[O-])c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 2/20 0.42
MAPK1 P28482 2/20 0.42
G6PD P11413 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL15400557 0.89 PKM (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31569072 0.89 MAPT (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20500421 0.89 MAPT (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28069318 0.86 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27162701 0.84 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14015563 0.84 KMT2A (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27162626 0.83 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21816646 0.79 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9820261 0.79 MAPT (0.50) KDM4EMAPTMEN1KMT2APKM
SCHEMBL14334416 0.79 CYP19A1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262842-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2024-08-08 US disclosed
US-20240246968-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME LLC 2024-07-25 US disclosed
EP-4329750-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
EP-4329749-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
CN-112996784-B Indole derivatives and their use in medicine 北京越之康泰生物医药科技有限公司 2023-05-30 CN disclosed
WO-2022232318-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
WO-2022232320-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
WO-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed
US-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
EP-1943230-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
WO-2007036715-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036715-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 GRIN2D 173/4885GRIN3B 68/4885GRIN1 22/4885
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. CHRM1, CHRM2, CHRM5 GRIN2D 177/4885GRIN3B 87/4885GRIN1 31/4885
US-20240246968-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS GRIN2D 4566/4885GRIN3B 4192/4885GRIN1 4075/4885
US-20240262842-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS GRIN2D 4630/4885GRIN3B 4374/4885GRIN1 4048/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR GRIN2D 4347/4885GRIN3B 3796/4885GRIN1 2998/4885

“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.