SCHEMBL3775155

SCHEMBL3775155

C=CCOc1cc(CN2CCC(Nc3nc(OC)cc(OC)n3)CC2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.54
SSTR5 P35346 17/20 0.52
HRH1 P35367 2/20 0.52
HTR2B P41595 1/20 0.52
ACHE P22303 1/20 0.52
KCNH2 Q12809 2/20 0.47
KDM1A O60341 1/20 0.47
EHMT2 Q96KQ7 1/20 0.47
RCOR1 Q9UKL0 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
SCHEMBL4231445 0.94 APP (0.49) APPSSTR5HRH1HTR2BACHE
SCHEMBL3781191 0.91 APP (0.53) APPSSTR5HRH1HTR2BACHE
SCHEMBL3784276 0.91 APP (0.53) APPSSTR5HRH1HTR2BACHE
SCHEMBL3771847 0.89 SSTR5 (0.65) SSTR5HRH1HTR2BACHEKCNH2
SCHEMBL1748565 0.87 SSTR5 (0.50) SSTR5HRH1HTR2BACHEKCNH2
SCHEMBL4231747 0.86 APP (0.49) APPSSTR5HRH1HTR2BACHE
SCHEMBL4221954 0.86 APP (0.49) APPSSTR5HRH1HTR2BACHE
SCHEMBL3787485 0.86 SSTR5 (0.60) APPSSTR5HRH1HTR2BACHE
SCHEMBL3781106 0.86 SSTR5 (0.66) APPSSTR5HRH1HTR2BACHE
SCHEMBL3769722 0.84 ACHE (0.55) APPSSTR5HRH1HTR2BACHE

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 3 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
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 APP 2063/4885SSTR5 1/4885HRH1 140/4885

“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.