SCHEMBL3772048

SCHEMBL3772048

CCOc1cc(CN2CCC(Nc3nc(OC)c4cc(OC)c(OC)cc4n3)CC2)cc(OCC)c1F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 7/20 0.54
EHMT2 Q96KQ7 6/20 0.54
KDM1A O60341 3/20 0.54
RCOR1 Q9UKL0 3/20 0.54
NSD2 O96028 6/20 0.51
KCNH2 Q12809 1/20 0.49
APP P05067 1/20 0.48
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL3782357 0.90 SSTR5 (0.57) SSTR5EHMT2KDM1ARCOR1NSD2
SCHEMBL3785396 0.88 SSTR5 (0.58) SSTR5EHMT2KDM1ARCOR1NSD2
SCHEMBL3767911 0.87 EHMT2 (0.55) SSTR5EHMT2KDM1ARCOR1NSD2
SCHEMBL3776411 0.86 EHMT2 (0.51) SSTR5EHMT2KDM1ARCOR1NSD2
SCHEMBL3782763 0.83 SSTR5 (0.60) SSTR5KCNH2HRH1HTR2B
SCHEMBL4234952 0.83 EHMT2 (0.51) SSTR5EHMT2KDM1ARCOR1NSD2
SCHEMBL1748467 0.83 EHMT2 (0.62) SSTR5EHMT2KDM1ARCOR1NSD2
SCHEMBL3770008 0.83 SSTR5 (0.59) SSTR5KCNH2HRH1HTR2B
SCHEMBL4232006 0.82 SLC2A1 (0.41) SSTR5EHMT2KDM1ARCOR1NSD2
SCHEMBL4232529 0.82 SSTR5 (0.48) SSTR5EHMT2KDM1ARCOR1NSD2

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 1/4885EHMT2 4728/4885KDM1A 4418/4885

“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.