SCHEMBL655939

SCHEMBL655939

CCCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.57
PPARA Q07869 3/20 0.57
BCL9 O00512 1/20 0.52
CTNNB1 P35222 1/20 0.52
MAPT P10636 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MGLL Q99685 2/20 0.47
HTR2A P28223 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
SCHEMBL1139037 0.92 MGLL (0.51) PPARGPPARABCL9CTNNB1MAPT
SCHEMBL93218 0.89 CTRC (0.56) PPARGPPARABCL9CTNNB1MAPT
SCHEMBL7255831 0.89 CTRC (0.56) PPARGPPARABCL9CTNNB1MAPT
SCHEMBL4832122 0.89 CTRC (0.56) PPARGPPARABCL9CTNNB1MAPT
SCHEMBL3629791 0.88 SMN1; SMN2 (0.56) PPARGPPARABCL9CTNNB1MAPT
Hydrochloric Acid SCHEMBL10569382 0.87 SMN1; SMN2 (0.55) PPARGPPARABCL9CTNNB1MAPT
SCHEMBL6391326 0.86 MAPT (0.57) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL667900 0.83 BCL9 (0.50) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL4747181 0.83 BCL9 (0.50) BCL9CTNNB1MAPTCRHBPCRHR2
SCHEMBL6814396 0.82 FNTA (0.46) BCL9CTNNB1MAPTHTR2AMEN1

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-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-8148525-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-04-03 US disclosed
US-20120045454-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. 2012-02-23 US disclosed
EP-1471915-B1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2011-09-14 EP disclosed
US-20110144330-A1 2,4-Pyrimidinediamine Compounds and their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
US-7906644-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
EP-2281563-A1 2,4-Pyrimidinediamine compounds and their uses Rigel Pharmaceuticals, Inc. (US) 2011-02-09 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 (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-20120045454-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PPARG 3417/4885PPARA 3577/4885BCL9 900/4885
US-20110144330-A1 2,4-Pyrimidinediamine Compounds and their Uses FCER2, FCGR1A, FCGR2A PPARG 3417/4885PPARA 3577/4885BCL9 900/4885

“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.