SCHEMBL3775880

SCHEMBL3775880

CCCOc1cc(CN2CCC(Nc3nc(N4CCCCC4)c4cc(OC)c(OC)cc4n3)CC2)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.57
EHMT2 Q96KQ7 15/20 0.54
KDM1A O60341 2/20 0.51
RCOR1 Q9UKL0 2/20 0.51
APP P05067 1/20 0.51
TLR7 Q9NYK1 2/20 0.49
TLR9 Q9NR96 1/20 0.49
NSD2 O96028 1/20 0.49

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
SCHEMBL3779098 0.96 EHMT2 (0.55) SSTR5EHMT2KDM1ARCOR1APP
SCHEMBL3775638 0.94 SSTR5 (0.55) SSTR5EHMT2KDM1ARCOR1APP
SCHEMBL3776962 0.93 SSTR5 (0.57) SSTR5EHMT2KDM1ARCOR1APP
SCHEMBL3782743 0.92 SSTR5 (0.57) SSTR5EHMT2KDM1ARCOR1APP
SCHEMBL3774437 0.92 EHMT2 (0.55) SSTR5EHMT2KDM1ARCOR1APP
SCHEMBL3782272 0.90 EHMT2 (0.51) SSTR5EHMT2KDM1ARCOR1APP
SCHEMBL3772515 0.90 EHMT2 (0.53) SSTR5EHMT2KDM1ARCOR1APP
SCHEMBL3781568 0.90 SSTR5 (0.57) SSTR5EHMT2KDM1ARCOR1APP
SCHEMBL3781601 0.89 EHMT2 (0.62) EHMT2KDM1ARCOR1APPTLR7
SCHEMBL3779221 0.88 EHMT2 (0.54) SSTR5EHMT2KDM1ARCOR1APP

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 1/4885EHMT2 4728/4885KDM1A 4418/4885

“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.