SCHEMBL3772004

SCHEMBL3772004

COc1cc(OC)nc(NC2CCN(Cc3cc(O)cc(OC(C)C)c3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.52
KDM1A O60341 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACHE P22303 4/20 0.38
BACE1 P56817 2/20 0.38
APP P05067 1/20 0.38
CXCR3 P49682 2/20 0.38
SIGMAR1 Q99720 2/20 0.37
NSD2 O96028 2/20 0.37
DRD4 P21917 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL3771840 0.93 SSTR5 (0.58) SSTR5KDM1AEHMT2RCOR1ALDH1A1
SCHEMBL4230769 0.87 SSTR5 (0.53) SSTR5KDM1AEHMT2RCOR1ALDH1A1
SCHEMBL1748288 0.83 SSTR5 (0.53) SSTR5ALDH1A1ACHEBACE1CXCR3
SCHEMBL3782984 0.81 SSTR5 (0.59) SSTR5KDM1AEHMT2RCOR1ALDH1A1
SCHEMBL1874661 0.80 SSTR5 (0.50) SSTR5ALDH1A1CXCR3SIGMAR1
SCHEMBL1748412 0.80 SSTR5 (0.50) SSTR5ALDH1A1ACHECXCR3MCHR1
SCHEMBL3781183 0.80 SSTR5 (0.52) SSTR5ACHEBACE1SIGMAR1
SCHEMBL1748445 0.80 SSTR5 (0.46) SSTR5KDM1AEHMT2RCOR1NSD2
SCHEMBL3778007 0.79 EHMT2 (0.47) SSTR5KDM1AEHMT2RCOR1NSD2
SCHEMBL3775060 0.78 SSTR5 (0.49) SSTR5KDM1AEHMT2RCOR1ACHE

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 1/4885KDM1A 4418/4885EHMT2 4728/4885

“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.