SCHEMBL3780346

SCHEMBL3780346

CCOc1cc(CN2CCC(Nc3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)CC2)ccc1OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HIF1A Q16665 1/20 0.53
SSTR5 P35346 13/20 0.50
HRH1 P35367 2/20 0.50
HTR2B P41595 1/20 0.50
EHMT2 Q96KQ7 4/20 0.48
KDM1A O60341 2/20 0.48
RCOR1 Q9UKL0 2/20 0.48
EHMT1 Q9H9B1 2/20 0.47
KCNH2 Q12809 2/20 0.46
APP P05067 1/20 0.46
NSD2 O96028 1/20 0.45

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
SCHEMBL3770726 0.94 ALDH1A1 (0.59) ALDH1A1HPGDHIF1ASSTR5HRH1
SCHEMBL3781168 0.93 EHMT2 (0.51) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL3778972 0.89 SSTR5 (0.53) ALDH1A1HPGDHIF1ASSTR5HRH1
SCHEMBL3776930 0.89 SSTR5 (0.55) ALDH1A1HPGDHIF1ASSTR5HRH1
SCHEMBL3783904 0.89 SSTR5 (0.53) ALDH1A1HPGDHIF1ASSTR5HRH1
SCHEMBL3773359 0.89 SSTR5 (0.58) ALDH1A1HPGDHIF1ASSTR5HRH1
SCHEMBL3782604 0.89 SSTR5 (0.54) ALDH1A1HPGDHIF1ASSTR5HRH1
SCHEMBL3782743 0.88 SSTR5 (0.57) ALDH1A1HPGDHIF1ASSTR5HRH1
SCHEMBL3779221 0.87 EHMT2 (0.54) ALDH1A1HPGDHIF1ASSTR5HRH1
SCHEMBL3782683 0.86 EHMT2 (0.51) ALDH1A1HPGDHIF1ASSTR5EHMT2

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 ALDH1A1 2891/4885HPGD 881/4885HIF1A 2353/4885

“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.