SCHEMBL3776930

SCHEMBL3776930

CCOc1cc(CN2CCC(Nc3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)CC2)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.55
HRH1 P35367 3/20 0.55
HTR2B P41595 2/20 0.55
EHMT2 Q96KQ7 4/20 0.52
KDM1A O60341 2/20 0.52
RCOR1 Q9UKL0 2/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
HIF1A Q16665 1/20 0.51
EHMT1 Q9H9B1 2/20 0.50
NSD2 O96028 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
APP P05067 1/20 0.48
DNMT3A Q9Y6K1 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
SCHEMBL4234599 0.96 SSTR5 (0.51) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL3770726 0.94 ALDH1A1 (0.59) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL3778972 0.92 SSTR5 (0.53) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL3783904 0.92 SSTR5 (0.53) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL3778510 0.92 EHMT2 (0.56) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL3782683 0.92 EHMT2 (0.51) SSTR5EHMT2KDM1ARCOR1ALDH1A1
SCHEMBL3782604 0.92 SSTR5 (0.54) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL3780346 0.89 ALDH1A1 (0.53) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL3782678 0.89 EHMT2 (0.51) SSTR5HRH1HTR2BEHMT2KDM1A
SCHEMBL3776411 0.89 EHMT2 (0.51) SSTR5HRH1HTR2BEHMT2KDM1A

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 SSTR5 1/4885HRH1 140/4885HTR2B 106/4885

“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.