SCHEMBL16637208

SCHEMBL16637208

O=c1nc[nH]c2cc([N+](=O)[O-])c(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
NAMPT P43490 1/20 0.40
XDH P47989 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
BLM P54132 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 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
SCHEMBL7807548 0.94 CYP3A4 (0.40) CYP3A4NAMPTXDHLMNAMAPT
SCHEMBL29693636 0.94 CYP3A4 (0.40) CYP3A4NAMPTXDHLMNAMAPT
SCHEMBL2988913 0.82 CA12 (0.42) CYP3A4NAMPTXDHLMNAMAPT
SCHEMBL11491570 0.82 MEN1 (0.46) CYP3A4NAMPTXDHLMNAMAPT
SCHEMBL3429702 0.80 MAPT (0.43) XDHMAPTHPGDALDH1A1PIM3
SCHEMBL12488897 0.80 CYP3A4 (0.41) CYP3A4NAMPTXDHLMNAMAPT
SCHEMBL4371995 0.79 CYP3A4 (0.40) CYP3A4NAMPTXDHLMNAMAPT
SCHEMBL1507518 0.79 CA12 (0.48) CYP3A4NAMPTXDHMAPTPOLB
SCHEMBL25321087 0.76 IDO1 (0.43) MAPTHPGDALDH1A1PIM3MEN1
SCHEMBL12507039 0.74 IDO1 (0.43) MAPTGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
US-20240043441-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-02-08 US disclosed
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2024-01-23 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20220242875-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2022-08-04 US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
EP-3055290-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2016-08-17 EP disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 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 (11 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-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 3708/4885NAMPT 4533/4885XDH 2574/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CYP3A4 2580/4885NAMPT 4541/4885XDH 3234/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CYP3A4 4449/4885NAMPT 4757/4885XDH 4630/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CYP3A4 2066/4885NAMPT 4389/4885XDH 1985/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 2066/4885NAMPT 4389/4885XDH 1985/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 2066/4885NAMPT 4389/4885XDH 1985/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 3708/4885NAMPT 4533/4885XDH 2574/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 3708/4885NAMPT 4533/4885XDH 2574/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 3708/4885NAMPT 4533/4885XDH 2574/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 3708/4885NAMPT 4533/4885XDH 2574/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP3A4 3708/4885NAMPT 4533/4885XDH 2574/4885

“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.