SCHEMBL3782272

SCHEMBL3782272

CCOc1cc(CN2CCC(Nc3nc(N4CCCCC4)c4cc(OC)c(OC)cc4n3)CC2)ccc1OCCO

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 8/20 0.51
SSTR5 P35346 9/20 0.49
HRH1 P35367 2/20 0.49
HTR2B P41595 1/20 0.49
KDM1A O60341 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
SSTR1 P30872 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
APP P05067 1/20 0.46

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
SCHEMBL3774437 0.95 EHMT2 (0.55) EHMT2SSTR5HRH1HTR2BKDM1A
SCHEMBL3775638 0.93 SSTR5 (0.55) EHMT2SSTR5HRH1HTR2BKDM1A
SCHEMBL4234177 0.90 EHMT2 (0.51) EHMT2SSTR5HRH1HTR2BKDM1A
SCHEMBL3779044 0.90 EHMT2 (0.54) EHMT2SSTR5HRH1HTR2BKDM1A
SCHEMBL3775880 0.90 SSTR5 (0.57) EHMT2SSTR5KDM1ARCOR1TLR7
SCHEMBL3779098 0.89 EHMT2 (0.55) EHMT2SSTR5KDM1ARCOR1TLR7
SCHEMBL3776962 0.89 SSTR5 (0.57) EHMT2SSTR5KDM1ARCOR1TLR7
SCHEMBL3781168 0.89 EHMT2 (0.51) EHMT2SSTR5HRH1HTR2BKDM1A
SCHEMBL3778510 0.88 EHMT2 (0.56) EHMT2SSTR5HRH1HTR2BKDM1A
SCHEMBL3775626 0.88 EHMT2 (0.56) EHMT2SSTR5HRH1HTR2BKDM1A

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 3 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
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 EHMT2 4728/4885SSTR5 1/4885HRH1 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.