SCHEMBL18095978

SCHEMBL18095978

COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(N3CCN(c4ccccc4)CC3)nc2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 5/20 1.00
EHMT2 Q96KQ7 15/20 0.75
NSD2 O96028 3/20 0.75
NSD3 Q9BZ95 3/20 0.75
EHMT1 Q9H9B1 3/20 0.75
EZH2 Q15910 1/20 0.75
NPC1 O15118 1/20 0.71
KDM1A O60341 1/20 0.71
MTOR P42345 1/20 0.71
RAB9A P51151 1/20 0.71

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
SCHEMBL20016196 0.93 DNMT3A (1.00) DNMT3AEHMT2NSD2NSD3EHMT1
SCHEMBL21593815 0.90 EHMT2 (0.88) DNMT3AEHMT2NSD2NSD3EHMT1
SCHEMBL18103407 0.89 DNMT3A (1.00) DNMT3AEHMT2NSD2NSD3EHMT1
SCHEMBL15280267 0.88 DNMT3A (0.90) DNMT3AEHMT2NSD2NSD3EHMT1
SCHEMBL20109383 0.87 DNMT3A (0.77) DNMT3AEHMT2NSD2NSD3EHMT1
SCHEMBL14940754 0.86 EHMT2 (1.00) DNMT3AEHMT2NSD2NSD3EHMT1
SCHEMBL15280251 0.86 DNMT3A (0.86) DNMT3AEHMT2NSD2NSD3EHMT1
SCHEMBL15280407 0.86 EHMT2 (0.94) DNMT3AEHMT2NSD2NSD3EHMT1
SCHEMBL15280410 0.86 EHMT2 (0.98) DNMT3AEHMT2NSD2NSD3EHMT1
SCHEMBL14941039 0.85 DNMT3A (0.85) DNMT3AEHMT2NSD2NSD3EHMT1

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-10450299-B2 Substituted quinazoline derivatives as DNA methyltransferase inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-10-22 US disclosed
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-05-03 US disclosed
EP-3277676-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS DNA METHYLTRANSFERASE INHIBITORS Pierre Fabre Médicament (FR) 2018-02-07 EP disclosed
WO-2016151144-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS DNA METHYLTRANSFERASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2016-09-29 WO disclosed
WO-2016151144-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS DNA METHYLTRANSFERASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2016-09-29 WO 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 (2 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-10450299-B2 Substituted quinazoline derivatives as DNA methyltransferase inhibitors DNMT1, DNMT3A, DNMT3B DNMT3A 2/4885EHMT2 34/4885NSD2 87/4885
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors DNMT1, DNMT3A, DNMT3B DNMT3A 2/4885EHMT2 34/4885NSD2 87/4885

“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.