SCHEMBL655464

SCHEMBL655464

COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
POLB P06746 2/20 0.56
MAOB P27338 7/20 0.53
MAOA P21397 2/20 0.53
XDH P47989 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
F12 P00748 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 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
SCHEMBL27631823 0.95 MAOB (0.55) CA12CA9POLBMAOBMAOA
SCHEMBL16943491 0.85 CA12 (0.52) CA12CA9POLBMAOBMAOA
SCHEMBL2249264 0.85 POLB (0.52) CA12CA9POLBMAOBMAOA
SCHEMBL29592689 0.85 POLB (0.52) CA12CA9POLBMAOBMAOA
SCHEMBL3488219 0.84 CA12 (0.68) CA12CA9POLBMAOBMAOA
SCHEMBL31290976 0.84 CA12 (0.68) CA12CA9POLBMAOBMAOA
SCHEMBL12201092 0.83 POLB (0.53) CA12CA9POLBMAOBMAOA
SCHEMBL23258715 0.83 MEN1 (0.57) CA12CA9POLBMAOBNPC1
SCHEMBL2102040 0.83 NPC1 (0.56) CA12CA9POLBMAOBMAOA
SCHEMBL6239637 0.82 POLB (0.58) CA12CA9POLBMAOBMAOA

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 232 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-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-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-11-13 US disclosed
US-20030187053-A1 Triamide-substituted heterobicyclic compounds PFIZER INC. 2003-10-02 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed
US-6548530-B1 Antitumor drugs incorporate the 1,2,9,9a-tetrahydrocyclopropa(c)benz(e)indol-4-one (CBI) alkylation subunit; cytotoxic activity THE SCRIPPS RESEARCH INSTITUTE 2003-04-15 US disclosed
WO-2003002533-A1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION PFIZER PRODUCTS INC. (US) 2003-01-09 WO disclosed
CN-1219841-A DNA-binding indole derivatives, their prodrugs and immunoconjugates as anticancer agents PANORAMA RES INC (US) 1999-06-16 CN disclosed
EP-0862553-A4 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS SCRIPPS RESEARCH INST (US) 1999-02-03 EP disclosed
US-5843937-A DNA-binding indole derivatives, their prodrugs and immunoconjugates as anticancer agents PANORAMA RESEARCH, INC. (US) 1998-12-01 US disclosed
EP-0862553-A1 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS The Scripps Research Institute (US) 1998-09-09 EP disclosed
WO-1997012862-A1 CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS THE SCRIPPS RESEARCH INSTITUTE (US) 1997-04-10 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 (10 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-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC CA12 4767/4885CA9 4364/4885POLB 1943/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CA12 4754/4885CA9 4824/4885POLB 3063/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CA12 4754/4885CA9 4824/4885POLB 3063/4885
US-20030187053-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP CA12 4874/4885CA9 4752/4885POLB 1171/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CA12 4754/4885CA9 4824/4885POLB 3063/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CA12 4754/4885CA9 4824/4885POLB 3063/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CA12 4754/4885CA9 4824/4885POLB 3063/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CA12 4754/4885CA9 4824/4885POLB 3063/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CA12 4754/4885CA9 4824/4885POLB 3063/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CA12 4754/4885CA9 4824/4885POLB 3063/4885

“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.