SCHEMBL3785452

SCHEMBL3785452

COc1ccc(-c2cnc(NC3CCN(Cc4cc(OC(C)C)cc(OC(C)C)c4)CC3)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.52
ACHE P22303 7/20 0.49
BACE1 P56817 2/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MCHR1 Q99705 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
JAK1 P23458 3/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAP3K11 Q16584 1/20 0.40
PAX8 Q06710 1/20 0.40
TYK2 P29597 1/20 0.40

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
SCHEMBL3787453 0.90 SSTR5 (0.59) SSTR5ACHEBACE1KMT2ASIGMAR1
SCHEMBL3775854 0.88 ACHE (0.51) SSTR5ACHEBACE1MEN1KMT2A
SCHEMBL4225976 0.85 SSTR5 (0.54) SSTR5ACHEBACE1MEN1KMT2A
SCHEMBL3774524 0.85 SSTR5 (0.53) SSTR5ACHEBACE1SIGMAR1
SCHEMBL3636325 0.84 SSTR5 (0.59) SSTR5ACHEBACE1MEN1KMT2A
SCHEMBL3781183 0.84 SSTR5 (0.52) SSTR5ACHEBACE1SIGMAR1
SCHEMBL3779040 0.83 SSTR5 (0.55) SSTR5ACHEBACE1MEN1SIGMAR1
SCHEMBL3782674 0.82 SSTR5 (0.60) SSTR5ACHEBACE1SIGMAR1
SCHEMBL3779045 0.81 SSTR5 (0.54) SSTR5ACHEBACE1
SCHEMBL3767886 0.81 ACHE (0.50) SSTR5ACHEBACE1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP claimed
EP-2001867-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-12-17 EP claimed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO claimed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 US claimed
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 1/4885ACHE 3332/4885BACE1 2968/4885

“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.