SCHEMBL3781601

SCHEMBL3781601

COc1cc2nc(NC3CCN(Cc4ccc(OC)c(OCc5ccccc5)c4)CC3)nc(N3CCCCC3)c2cc1OC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 14/20 0.62
DNMT3A Q9Y6K1 1/20 0.59
KDM1A O60341 4/20 0.58
RCOR1 Q9UKL0 3/20 0.58
APP P05067 1/20 0.58
EZH2 Q15910 1/20 0.57
PRMT1 Q99873 1/20 0.57
KMT5A Q9NQR1 1/20 0.57
NSD2 O96028 3/20 0.55
TLR7 Q9NYK1 2/20 0.55
NPC1 O15118 1/20 0.54
MTOR P42345 1/20 0.54
RAB9A P51151 1/20 0.54
NSD3 Q9BZ95 1/20 0.54
EHMT1 Q9H9B1 1/20 0.54

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
SCHEMBL4230764 0.96 TLR7 (0.58) EHMT2DNMT3AKDM1ARCOR1APP
SCHEMBL3775638 0.90 SSTR5 (0.55) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL3775880 0.89 SSTR5 (0.57) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL3774437 0.89 EHMT2 (0.55) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL3779098 0.88 EHMT2 (0.55) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL3772515 0.88 EHMT2 (0.53) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL3776962 0.88 SSTR5 (0.57) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL3781568 0.88 SSTR5 (0.57) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL4234177 0.85 EHMT2 (0.51) EHMT2KDM1ARCOR1APPNSD2
SCHEMBL3781168 0.85 EHMT2 (0.51) EHMT2KDM1ARCOR1APPNSD2

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 2 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
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 4728/4885DNMT3A 4775/4885KDM1A 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.