SCHEMBL1806076

SCHEMBL1806076

Cc1nc(-c2cc(C)c([N+](=O)[O-])cc2C)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
EIF4E P06730 1/20 0.39
KDM4E B2RXH2 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.36
MIF P14174 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6367549 0.77 HDAC3 (0.49) GAAALDH1A1EIF4ETDP1
SCHEMBL16526960 0.72 CASP6 (0.39) GAAALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL1806843 0.72 TSHR (0.46) GAAALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL8053279 0.72 TSHR (0.58) GAAALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL1770959 0.70 MAPT (0.52) GAAALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL12518456 0.70 HSD17B10 (0.46) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL12515185 0.70 RECQL (0.49) GAAALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL6355125 0.70 C1S (0.53) GAAALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL7088513 0.70 ALDH1A1 (0.44) GAAALDH1A1SMN1; SMN2NPC1HPGD
Bromide SCHEMBL7369741 0.69 RECQL (0.51) GAAALDH1A1KMT2AHPGDRAB9A

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 GAA 817/4885ALDH1A1 618/4885SMN1; SMN2 2027/4885

“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.