SCHEMBL986085

SCHEMBL986085

CC(C)(C)Nc1ncccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 6/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.51
PKM P14618 3/20 0.49
LMNA P02545 1/20 0.49
PDE10A Q9Y233 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL27370258 0.83 PDE10A (0.51) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL2222503 0.81 MEN1 (0.56) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL11016312 0.80 MEN1 (0.63) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL29431832 0.78 MEN1 (0.51) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL28729479 0.78 MEN1 (0.51) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL8692084 0.78 MAPT (0.52) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL6941009 0.78 MEN1 (0.57) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL1620133 0.77 MAPT (0.57) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL4034758 0.77 NPC1 (0.62) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL12890441 0.77 KMT2A (0.52) MEN1KMT2AL3MBTL1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219954-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2023-07-13 US disclosed
US-20230219954-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2023-07-13 US disclosed
US-11685736-B2 P2X3 and/or P2X2/3 compounds and methods ABS DEVELOPMENT 1, INC. (US) 2023-06-27 US disclosed
US-11685736-B2 P2X3 and/or P2X2/3 compounds and methods ABS DEVELOPMENT 1, INC. (US) 2023-06-27 US disclosed
EP-3083619-B1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES LLC (US) 2021-11-03 EP disclosed
US-20200109143-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ABS DEVELOPMENT 1, INC. 2020-04-09 US disclosed
US-10590127-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2020-03-17 US disclosed
US-10544145-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2020-01-28 US disclosed
US-20190248789-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ABS DEVELOPMENT 1, INC. 2019-08-15 US disclosed
US-10316039-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2019-06-11 US disclosed
US-20160296501-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC (US) 2016-10-13 US disclosed
US-20160296501-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC (US) 2016-10-13 US disclosed
WO-2015095128-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC (US) 2015-06-25 WO disclosed
WO-2015095128-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC (US) 2015-06-25 WO disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME DONG WHA PHARM. CO., LTD. (KR) 2011-12-15 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 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 (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-20110306606-A1 NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME NOS3, PTMS, NOS2 MEN1 2648/4885KMT2A 1765/4885L3MBTL1 4883/4885
US-10544145-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 MEN1 3309/4885KMT2A 2807/4885L3MBTL1 3916/4885
US-20230219954-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 MEN1 3309/4885KMT2A 2807/4885L3MBTL1 3916/4885
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 MEN1 402/4885KMT2A 1014/4885L3MBTL1 1318/4885
US-10590127-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 MEN1 3819/4885KMT2A 3309/4885L3MBTL1 2847/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MEN1 402/4885KMT2A 1014/4885L3MBTL1 1318/4885
US-20200109143-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 MEN1 3309/4885KMT2A 2807/4885L3MBTL1 3916/4885
US-20160296501-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 MEN1 3819/4885KMT2A 3309/4885L3MBTL1 2847/4885
US-11685736-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 MEN1 3309/4885KMT2A 2807/4885L3MBTL1 3916/4885
US-20190248789-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX2, P2RX1 MEN1 3309/4885KMT2A 2807/4885L3MBTL1 3916/4885
US-10316039-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX2, P2RX1 MEN1 3309/4885KMT2A 2807/4885L3MBTL1 3916/4885

“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.