SCHEMBL3779221

SCHEMBL3779221

CCCCOc1cc(CN2CCC(Nc3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)CC2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 11/20 0.54
SSTR5 P35346 5/20 0.53
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HIF1A Q16665 1/20 0.51
KDM1A O60341 2/20 0.51
RCOR1 Q9UKL0 2/20 0.51
EHMT1 Q9H9B1 2/20 0.50
APP P05067 1/20 0.49
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
NSD2 O96028 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
SCHEMBL3782743 0.96 SSTR5 (0.57) EHMT2SSTR5ALDH1A1HPGDHIF1A
SCHEMBL4234622 0.96 EHMT2 (0.50) EHMT2SSTR5ALDH1A1HPGDHIF1A
SCHEMBL3770726 0.93 ALDH1A1 (0.59) EHMT2SSTR5ALDH1A1HPGDHIF1A
SCHEMBL3777000 0.92 SSTR5 (0.58) EHMT2SSTR5ALDH1A1HPGDHIF1A
SCHEMBL3779098 0.92 EHMT2 (0.55) EHMT2SSTR5KDM1ARCOR1APP
SCHEMBL3777259 0.89 EHMT2 (0.51) EHMT2SSTR5ALDH1A1HPGDHIF1A
SCHEMBL3773359 0.89 SSTR5 (0.58) EHMT2SSTR5ALDH1A1HPGDHIF1A
SCHEMBL3775880 0.88 SSTR5 (0.57) EHMT2SSTR5KDM1ARCOR1APP
SCHEMBL3780346 0.87 ALDH1A1 (0.53) EHMT2SSTR5ALDH1A1HPGDHIF1A
SCHEMBL3776930 0.87 SSTR5 (0.55) EHMT2SSTR5ALDH1A1HPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
EP-2001867-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-12-17 EP disclosed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 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 (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-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 EHMT2 4728/4885SSTR5 1/4885ALDH1A1 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.