SCHEMBL3769722

SCHEMBL3769722

C=CCOc1cc(CN2CCC(Nc3ncc(-c4ccccc4)cn3)CC2)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.55
APP P05067 1/20 0.52
SSTR5 P35346 11/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
BACE1 P56817 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
KDM1A O60341 2/20 0.46
EHMT2 Q96KQ7 2/20 0.46
RCOR1 Q9UKL0 2/20 0.46
NSD2 O96028 2/20 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
SCHEMBL4220101 0.95 ACHE (0.51) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3782856 0.90 SSTR5 (0.62) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL1878170 0.87 SSTR5 (0.51) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3773308 0.87 SSTR5 (0.64) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3775155 0.84 APP (0.54) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3784276 0.83 APP (0.53) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3781191 0.83 APP (0.53) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL1873548 0.81 SSTR5 (0.54) ACHEAPPSSTR5HRH1HTR2B
SCHEMBL3776339 0.81 SSTR5 (0.56) ACHESSTR5HRH1HTR2BBACE1
SCHEMBL3787693 0.81 SSTR5 (0.58) ACHESSTR5HRH1HTR2B

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 4 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-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 ACHE 3332/4885APP 2063/4885SSTR5 1/4885

“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.