SCHEMBL18095981

SCHEMBL18095981

COc1cc2c(NCCNc3cccc4ccccc34)nc(N3CCN(c4ccccc4)CC3)nc2cc1O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 3/20 0.59
KDM1A O60341 2/20 0.49
EHMT2 Q96KQ7 2/20 0.49
RCOR1 Q9UKL0 2/20 0.49
KMT5A Q9NQR1 12/20 0.47
HTR2A P28223 1/20 0.45
WHR1 P49842 1/20 0.43

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
SCHEMBL18103392 0.87 EHMT2 (0.64) DNMT3AKDM1AEHMT2RCOR1KMT5A
SCHEMBL30197751 0.87 EHMT2 (0.64) DNMT3AKDM1AEHMT2RCOR1KMT5A
SCHEMBL18103408 0.82 KMT5A (0.57) DNMT3AKDM1AEHMT2RCOR1KMT5A
Hydrochloric Acid SCHEMBL30197627 0.82 KMT5A (0.56) DNMT3AKDM1AEHMT2RCOR1KMT5A
SCHEMBL18103389 0.79 KMT5A (0.52) DNMT3AKDM1AEHMT2RCOR1KMT5A
SCHEMBL18103409 0.78 DNMT3A (0.58) DNMT3AKDM1AEHMT2RCOR1KMT5A
SCHEMBL30197579 0.78 DNMT3A (0.58) DNMT3AKDM1AEHMT2RCOR1KMT5A
SCHEMBL5049937 0.77 WHR1 (0.71) DNMT3AKDM1AEHMT2RCOR1KMT5A
SCHEMBL29385210 0.77 WHR1 (0.71) DNMT3AKDM1AEHMT2RCOR1KMT5A
SCHEMBL18095978 0.74 DNMT3A (1.00) DNMT3AKDM1AEHMT2

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 2/4885KDM1A 133/4885EHMT2 34/4885
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors DNMT1, DNMT3A, DNMT3B DNMT3A 2/4885KDM1A 133/4885EHMT2 34/4885

“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.