SCHEMBL3780211

SCHEMBL3780211

COc1cc2nc(NC3CCN(C(=O)OC(C)(C)C)CC3)nc(OC)c2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.65
EHMT2 Q96KQ7 8/20 0.63
KDM1A O60341 1/20 0.63
RCOR1 Q9UKL0 1/20 0.63
DNMT3A Q9Y6K1 1/20 0.62
ALDH1A1 P00352 2/20 0.51
WHR1 P49842 1/20 0.51
EHMT1 Q9H9B1 2/20 0.49
GPR119 Q8TDV5 1/20 0.48
KMT5A Q9NQR1 1/20 0.48
CCR4 P51679 1/20 0.47
TLR9 Q9NR96 3/20 0.47
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3777218 0.86 NSD2 (0.60) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL3772303 0.84 NSD2 (0.59) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL1748471 0.82 NSD2 (0.76) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL29613418 0.82 NSD2 (0.76) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL3769960 0.80 ALDH1A1 (0.60) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL9911814 0.79 EHMT2 (0.91) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL21876063 0.79 ALDH1A1 (0.60) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL27223858 0.79 EHMT2 (0.83) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL20745575 0.78 EHMT2 (0.83) EHMT2
SCHEMBL29613548 0.78 NSD2 (0.70) NSD2EHMT2KDM1ARCOR1DNMT3A

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 NSD2 3116/4885EHMT2 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.