SCHEMBL3787544

SCHEMBL3787544

CCOc1cc(CN2CCC(Nc3nc(OC)cc(OC)n3)CC2)cc(OCOC)c1I

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 17/20 0.45
HRH1 P35367 3/20 0.45
HTR2B P41595 2/20 0.45
ACHE P22303 2/20 0.43
BACE1 P56817 1/20 0.43
APP P05067 1/20 0.43
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3787695 0.86 SSTR5 (0.43) SSTR5HRH1HTR2B
SCHEMBL3779146 0.85 SSTR5 (0.48) SSTR5HRH1HTR2BACHEBACE1
SCHEMBL3782763 0.85 SSTR5 (0.60) SSTR5HRH1HTR2BKCNH2
SCHEMBL3771847 0.82 SSTR5 (0.65) SSTR5HRH1HTR2BACHEKCNH2
SCHEMBL4230094 0.82 SSTR5 (0.40) SSTR5HRH1HTR2B
SCHEMBL3781119 0.81 SSTR5 (0.54) SSTR5HRH1HTR2BACHEBACE1
SCHEMBL3775060 0.81 SSTR5 (0.49) SSTR5HRH1HTR2BACHEBACE1
SCHEMBL3781177 0.81 SSTR5 (0.62) SSTR5HRH1HTR2BKCNH2
SCHEMBL3781404 0.81 SSTR5 (0.62) SSTR5HRH1HTR2BKCNH2
SCHEMBL3780466 0.81 SSTR5 (0.64) SSTR5HRH1HTR2BKCNH2

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.