SCHEMBL654525

SCHEMBL654525

COC(=O)COc1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
KMT2A Q03164 7/20 0.53
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.50
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL1549394 0.89 PTGS2 (0.54) PTGS2KMT2AALDH1A1TDP1MAPT
SCHEMBL7363912 0.88 PTGS2 (0.57) PTGS2KMT2AALDH1A1TDP1MAPT
SCHEMBL1106918 0.86 KMT2A (0.56) PTGS2KMT2AALDH1A1TDP1MAPT
SCHEMBL9631061 0.85 ALDH1A1 (0.50) KMT2AALDH1A1TDP1MAPTMEN1
SCHEMBL654407 0.84 BCHE (0.59) KMT2AALDH1A1TDP1MAPTMEN1
SCHEMBL23754428 0.83 PTGS2 (0.55) PTGS2KMT2AALDH1A1TDP1MEN1
SCHEMBL10504393 0.83 PTGS2 (0.54) PTGS2KMT2AALDH1A1TDP1MAPT
SCHEMBL693224 0.83 MAPT (0.59) KMT2AALDH1A1MAPTMEN1TSHR
SCHEMBL27631117 0.82 ALDH1A1 (0.50) KMT2AALDH1A1TDP1MAPTMEN1
SCHEMBL7778630 0.82 MAPT (0.66) PTGS2KMT2AALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12439917-B2 Method for controlling phakopsora pachyrhizi having resistance against QoI fungicide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2025-10-14 US disclosed
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-11-28 US disclosed
US-20230127143-A1 METHOD FOR CONTROLLING PHAKOPSORA PACHYRHIZI HAVING RESISTANCE AGAINST QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-04-27 US disclosed
WO-2021153782-A1 METHOD FOR CONTROLLING PHAKOPSORA PACHYRHIZI HAVING RESISTANCE AGAINST QoI FUNGICIDE 住友化学株式会社 2021-08-05 WO disclosed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-7060827-B2 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 US disclosed
CN-1625400-A 2, 4-pyrimidinediamine compounds and uses thereof RIGEL PHARMACEUTICALS INC (US) 2005-06-08 CN disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 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 (13 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-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 PTGS2 664/4885KMT2A 2638/4885ALDH1A1 3966/4885
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PTGS2 266/4885KMT2A 2984/4885ALDH1A1 2891/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT PTGS2 133/4885KMT2A 1886/4885ALDH1A1 2723/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PTGS2 266/4885KMT2A 2984/4885ALDH1A1 2891/4885
US-20230127143-A1 METHOD FOR CONTROLLING PHAKOPSORA PACHYRHIZI HAVING RESISTANCE AGAINST QoI FUNGICIDE CYC1, COX5B, SQOR PTGS2 2832/4885KMT2A 2647/4885ALDH1A1 4419/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS2 266/4885KMT2A 2984/4885ALDH1A1 2891/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS2 266/4885KMT2A 2984/4885ALDH1A1 2891/4885
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A PTGS2 169/4885KMT2A 2086/4885ALDH1A1 2615/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A PTGS2 120/4885KMT2A 4638/4885ALDH1A1 2302/4885
US-12439917-B2 Method for controlling phakopsora pachyrhizi having resistance against QoI fungicide CYC1, COX5B, SQOR PTGS2 2832/4885KMT2A 2647/4885ALDH1A1 4419/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS2 266/4885KMT2A 2984/4885ALDH1A1 2891/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PTGS2 266/4885KMT2A 2984/4885ALDH1A1 2891/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS2 266/4885KMT2A 2984/4885ALDH1A1 2891/4885

“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.