SCHEMBL3779040

SCHEMBL3779040

CCc1cnc(NC2CCN(Cc3cc(OC(C)C)cc(OC(C)C)c3)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.55
ALDH1A1 P00352 1/20 0.40
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
ACHE P22303 3/20 0.37
BACE1 P56817 1/20 0.37
ROCK2 O75116 1/20 0.36
MEN1 O00255 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PABPC1 P11940 1/20 0.36
FAAH O00519 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL4240279 0.94 SSTR5 (0.50) SSTR5ALDH1A1HRH1HTR2BACHE
SCHEMBL3782674 0.87 SSTR5 (0.60) SSTR5ALDH1A1HRH1HTR2BACHE
SCHEMBL3787453 0.85 SSTR5 (0.59) SSTR5HRH1HTR2BACHEBACE1
SCHEMBL3776436 0.84 SSTR5 (0.45) SSTR5HRH1HTR2BACHE
SCHEMBL3785452 0.83 SSTR5 (0.52) SSTR5ACHEBACE1MEN1SIGMAR1
SCHEMBL3774524 0.82 SSTR5 (0.53) SSTR5ALDH1A1ACHEBACE1ROCK2
SCHEMBL3782984 0.82 SSTR5 (0.59) SSTR5ALDH1A1HRH1HTR2BACHE
SCHEMBL3779054 0.81 SSTR5 (0.51) SSTR5HRH1HTR2B
SCHEMBL3771840 0.81 SSTR5 (0.58) SSTR5ALDH1A1ACHEBACE1PABPC1
SCHEMBL4225976 0.80 SSTR5 (0.54) SSTR5ACHEBACE1ROCK2MEN1

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 1/4885ALDH1A1 2891/4885HRH1 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.