SCHEMBL3776264

SCHEMBL3776264

CCOc1cc(CN2CCC(Nc3ncc(-c4ccccc4)cn3)CC2)cc(OCC)c1N

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 17/20 0.61
HRH1 P35367 4/20 0.51
SSTR1 P30872 1/20 0.51
HTR2B P41595 2/20 0.48
ACHE P22303 2/20 0.46
BACE1 P56817 1/20 0.46
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL4229245 0.94 SSTR5 (0.56) SSTR5HRH1SSTR1HTR2BACHE
SCHEMBL3773257 0.91 SSTR5 (0.55) SSTR5HRH1SSTR1HTR2BBACE1
SCHEMBL3782798 0.90 SSTR5 (0.53) SSTR5HRH1SSTR1HTR2BACHE
SCHEMBL3782698 0.90 SSTR5 (0.61) SSTR5HRH1HTR2B
SCHEMBL3775944 0.90 SSTR5 (0.50) SSTR5HRH1HTR2BACHEBACE1
SCHEMBL3776054 0.87 SSTR5 (0.52) SSTR5HRH1HTR2BACHEBACE1
SCHEMBL3782537 0.87 SSTR5 (0.63) SSTR5HRH1SSTR1HTR2BACHE
SCHEMBL3776903 0.87 SSTR5 (0.61) SSTR5HRH1SSTR1HTR2BACHE
SCHEMBL3781123 0.87 SSTR5 (0.61) SSTR5HRH1SSTR1HTR2BACHE
SCHEMBL3774157 0.87 SSTR5 (0.51) SSTR5HRH1HTR2BACHEBACE1

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 6 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
CN-101405284-A Pyrimidine, quinazoline, pteridine and derivatives HOFFMANN LA ROCHE (CH) 2009-04-08 CN 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 140/4885SSTR1 3/4885

“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.