SCHEMBL3775840

SCHEMBL3775840

CCOc1cc(CN2CCC(Nc3nc(N4CCOCC4)c4cc(OC)c(OC)cc4n3)CC2)cc(OCC)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 12/20 0.53
EHMT1 Q9H9B1 6/20 0.53
KDM1A O60341 2/20 0.51
RCOR1 Q9UKL0 2/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HIF1A Q16665 1/20 0.50
SSTR5 P35346 2/20 0.48
HRH1 P35367 2/20 0.48
HTR2B P41595 1/20 0.48
NSD2 O96028 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
DNMT3A Q9Y6K1 2/20 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
SCHEMBL4222867 0.95 EHMT2 (0.49) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL3776126 0.92 EHMT2 (0.53) EHMT2EHMT1KDM1ARCOR1NSD2
SCHEMBL3782683 0.90 EHMT2 (0.51) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL3776411 0.90 EHMT2 (0.51) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL3776925 0.90 EHMT2 (0.51) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL3782678 0.90 EHMT2 (0.51) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL3775028 0.89 EHMT2 (0.50) EHMT2EHMT1KDM1ARCOR1SSTR5
SCHEMBL3770726 0.89 ALDH1A1 (0.59) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL3776932 0.88 ALDH1A1 (0.51) EHMT2EHMT1KDM1ARCOR1ALDH1A1
SCHEMBL3776930 0.87 SSTR5 (0.55) EHMT2EHMT1KDM1ARCOR1ALDH1A1

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 5 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
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 EHMT2 4728/4885EHMT1 4670/4885KDM1A 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.