SCHEMBL3772303

SCHEMBL3772303

COc1cc2nc(NC3CCN(C(=O)OC(C)(C)C)CC3)nc(N3CCOCC3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.59
EHMT2 Q96KQ7 9/20 0.57
KDM1A O60341 1/20 0.57
RCOR1 Q9UKL0 1/20 0.57
DNMT3A Q9Y6K1 1/20 0.57
TLR9 Q9NR96 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
TLR7 Q9NYK1 2/20 0.49
EHMT1 Q9H9B1 5/20 0.49
PIK3CA P42336 2/20 0.47
PIK3CG P48736 2/20 0.47
MTOR P42345 1/20 0.47
ATR Q13535 1/20 0.47
AURKB Q96GD4 1/20 0.47
WHR1 P49842 1/20 0.46
PIK3CD O00329 1/20 0.46
PIK3R1 P27986 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3R5 Q8WYR1 1/20 0.46
KMT5A Q9NQR1 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
SCHEMBL3777218 0.91 NSD2 (0.60) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL3775967 0.85 PIK3CA (0.49) NSD2DNMT3ATLR9PIK3CAPIK3CG
SCHEMBL3780211 0.84 NSD2 (0.65) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL2923197 0.83 TLR9 (0.66) TLR9SMN1; SMN2TLR7PIK3CAPIK3CG
SCHEMBL13015062 0.80 SMN1; SMN2 (0.57) NSD2EHMT2KDM1ARCOR1TLR9
Hydrochloric Acid SCHEMBL4048122 0.80 SMN1; SMN2 (0.56) NSD2EHMT2KDM1ARCOR1TLR9
Hydrochloric Acid SCHEMBL3772388 0.80 SMN1; SMN2 (0.56) NSD2EHMT2KDM1ARCOR1TLR9
Hydrochloric Acid SCHEMBL4048123 0.80 SMN1; SMN2 (0.56) NSD2EHMT2KDM1ARCOR1TLR9
SCHEMBL15820138 0.78 NTSR1 (0.68) NSD2TLR9TLR7
SCHEMBL2918315 0.77 TLR9 (0.66) 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.