SCHEMBL2103295

SCHEMBL2103295

CCOC(=O)C(C)(Br)C(=O)OCC.CCOC(=O)C(C)(Oc1cccc([N+](=O)[O-])c1)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.49
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
GLO1 Q04760 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
CACNA1F O60840 3/20 0.43
CACNA1D Q01668 3/20 0.43
CACNA1S Q13698 3/20 0.43
CACNA1C Q13936 3/20 0.43
ADORA3 P0DMS8 1/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL654216 0.95 FBP1 (0.53) FBP1MAPTALDH1A1LMNAGLO1
SCHEMBL654010 0.85 FBP1 (0.65) FBP1MAPTALDH1A1LMNAGLO1
SCHEMBL7248836 0.81 FBP1 (0.49) FBP1MAPTALDH1A1LMNAGLO1
Butane SCHEMBL2103294 0.80 CHRNB2 (0.42) ALDH1A1KMT2AMEN1CHRNB2CHRNA4
SCHEMBL27612560 0.78 FBP1 (0.39) FBP1MAPTALDH1A1LMNAGLO1
SCHEMBL2415812 0.76 GLS (0.46) FBP1MAPTALDH1A1LMNAKMT2A
SCHEMBL655339 0.75 CYP3A4 (0.51) FBP1MAPTALDH1A1LMNAHPGD
SCHEMBL1204803 0.75 MAPT (0.53) MAPTALDH1A1LMNAGLO1KMT2A
SCHEMBL27455295 0.75 PTPRC (0.51) MAPTALDH1A1LMNAGLO1KMT2A
SCHEMBL7146151 0.74 CHRNB2 (0.55) ALDH1A1LMNAKMT2AMEN1CHRNB2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-20170246167-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2017-08-31 US disclosed
US-8557806-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-7825116-B2 -(2-Aminopyrid-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for immunoglobulins IgE and IgG antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-11-02 US disclosed
US-7812029-B1 such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 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 (2 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 FBP1 1310/4885MAPT 4104/4885ALDH1A1 2891/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A FBP1 1310/4885MAPT 4104/4885ALDH1A1 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.