SCHEMBL3785745

SCHEMBL3785745

CCOc1cc(CN2CCC(Nc3nc(N4CCCCC4)c4cc(OC)c(OC)cc4n3)CC2)cc(OCC)c1-n1cccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 15/20 0.51
KDM1A O60341 4/20 0.50
RCOR1 Q9UKL0 3/20 0.50
NSD2 O96028 2/20 0.47
SSTR5 P35346 3/20 0.47
HRH1 P35367 2/20 0.47
HTR2B P41595 1/20 0.45
NPC1 O15118 1/20 0.45
MTOR P42345 1/20 0.45
RAB9A P51151 1/20 0.45
NSD3 Q9BZ95 1/20 0.45
EHMT1 Q9H9B1 1/20 0.45
APP P05067 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
SCHEMBL4232627 0.96 EHMT2 (0.48) EHMT2KDM1ARCOR1NSD2SSTR5
SCHEMBL3776932 0.93 ALDH1A1 (0.51) EHMT2KDM1ARCOR1NSD2SSTR5
SCHEMBL4235382 0.89 ALDH1A1 (0.47) EHMT2KDM1ARCOR1NSD2SSTR5
SCHEMBL3776632 0.89 EHMT2 (0.54) EHMT2KDM1ARCOR1NSD2SSTR5
SCHEMBL3774437 0.89 EHMT2 (0.55) EHMT2KDM1ARCOR1NSD2SSTR5
SCHEMBL3777251 0.89 EHMT2 (0.53) EHMT2KDM1ARCOR1NSD2NPC1
SCHEMBL3767911 0.89 EHMT2 (0.55) EHMT2KDM1ARCOR1NSD2SSTR5
SCHEMBL3775638 0.89 SSTR5 (0.55) EHMT2KDM1ARCOR1NSD2SSTR5
SCHEMBL3776126 0.87 EHMT2 (0.53) EHMT2KDM1ARCOR1NSD2NPC1
SCHEMBL3775626 0.86 EHMT2 (0.56) EHMT2KDM1ARCOR1NSD2SSTR5

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 4728/4885KDM1A 4418/4885RCOR1 2396/4885

“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.