SCHEMBL1806976

SCHEMBL1806976

Cc1cc([N+](=O)[O-])c(C)cc1C(=O)CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
GSK3B P49841 1/20 0.45
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 1/20 0.42
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8081283 0.84 MEN1 (0.41) TSHRGSK3BALDH1A1MAPTGAA
SCHEMBL8100252 0.81 TSHR (0.50) TSHRALDH1A1MAPTGAACYP1A2
SCHEMBL1804737 0.79 TSHR (0.51) TSHRALDH1A1MAPTGAACYP1A2
SCHEMBL272650 0.79 TSHR (0.61) TSHRALDH1A1MAPTCYP1A2CES2
SCHEMBL2054452 0.79 TSHR (0.66) TSHRGSK3BALDH1A1MAPTGAA
SCHEMBL1826856 0.79 TSHR (0.66) TSHRGSK3BALDH1A1MAPTGAA
SCHEMBL8138933 0.78 GSK3B (0.42) TSHRGSK3BALDH1A1CYP1A2LMNA
SCHEMBL22359915 0.78 GSK3B (0.48) GSK3BALDH1A1MAPTGAALMNA
SCHEMBL8092545 0.77 TSHR (0.50) TSHRALDH1A1MAPTCYP1A2CES2
SCHEMBL31415407 0.75 GSK3B (0.56) TSHRGSK3BALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445505-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-21 US disclosed
EP-2331526-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-06-15 EP disclosed
US-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ITM LLC (BM) 2011-05-12 US disclosed
WO-2009158431-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-12-30 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 (1 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-20110112096-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK TSHR 2020/4885GSK3B 1125/4885ALDH1A1 618/4885

“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.