SCHEMBL655716

SCHEMBL655716

CC(C)(C)OC(=O)COc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.60
ALDH1A1 P00352 6/20 0.59
MAPT P10636 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
KMT2A Q03164 5/20 0.55
POLB P06746 2/20 0.52
PLA2G4B P0C869 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL28757163 0.93 PTGS2 (0.54) PTGS2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL19283111 0.89 PTGS2 (0.50) PTGS2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL21348716 0.86 MAPT (0.52) PTGS2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL18530427 0.86 MAPT (0.52) PTGS2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL28680418 0.85 MAPT (0.52) PTGS2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL18282354 0.84 MAPT (0.49) PTGS2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL6478841 0.83 CHRNB2 (0.52) ALDH1A1MAPTCYP1A2KMT2APOLB
SCHEMBL31615724 0.83 BCL9 (0.52) PTGS2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL839776 0.83 PTGS2 (0.83) PTGS2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL11431170 0.82 PLA2G4B (0.68) PTGS2ALDH1A1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-9913842-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2018-03-13 US disclosed
US-20170246167-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2017-08-31 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed
EP-1030835-B1 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LTD (GB) 2003-01-22 EP disclosed
CN-1335841-A N- (iminomethyl) amine derivatives, their preparation, their use as medicaments and pharmaceutical compositions containing them SOD CONSEILS RECH APPLIC (FR) 2002-02-13 CN disclosed
US-6344570-B1 ANTISTICKING AGENTS FOR CELLS ASTRAZENECA UK LIMITED (GB) 2002-02-05 US disclosed
EP-1030835-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca UK Limited (GB) 2000-08-30 EP disclosed
WO-1999024398-A2 UREA DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-05-20 WO disclosed
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
CN-1131418-A Novel fused-ring carboxylic acid compound or salt thereof, and medicinal use thereof GREEN CROSS CORP (JP) 1996-09-18 CN disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP 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 (9 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-20170246167-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PTGS2 266/4885ALDH1A1 2891/4885MAPT 4104/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PTGS2 266/4885ALDH1A1 2891/4885MAPT 4104/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS2 266/4885ALDH1A1 2891/4885MAPT 4104/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS2 266/4885ALDH1A1 2891/4885MAPT 4104/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS2 266/4885ALDH1A1 2891/4885MAPT 4104/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS2 266/4885ALDH1A1 2891/4885MAPT 4104/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS2 266/4885ALDH1A1 2891/4885MAPT 4104/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PTGS2 266/4885ALDH1A1 2891/4885MAPT 4104/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PTGS2 266/4885ALDH1A1 2891/4885MAPT 4104/4885

“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.