SCHEMBL18095968

SCHEMBL18095968

Clc1nc(NCCCc2ccccc2)c2ccc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)cc2n1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 11/20 0.80
DNMT1 P26358 10/20 0.80
HRH3 Q9Y5N1 5/20 0.51
APP P05067 1/20 0.42

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
SCHEMBL20113704 0.92 DNMT3A (0.68) DNMT3ADNMT1HRH3
SCHEMBL16586019 0.89 DNMT3A (1.00) DNMT3ADNMT1HRH3
SCHEMBL18095982 0.88 DNMT3A (0.75) DNMT3ADNMT1HRH3
SCHEMBL18095971 0.87 DNMT3A (0.61) DNMT3ADNMT1APP
SCHEMBL18103385 0.86 DNMT3A (0.71) DNMT3ADNMT1HRH3
SCHEMBL16586246 0.85 DNMT3A (0.88) DNMT3ADNMT1HRH3
SCHEMBL16586016 0.85 DNMT3A (0.91) DNMT3ADNMT1HRH3
SCHEMBL16596234 0.84 DNMT3A (1.00) DNMT3ADNMT1HRH3APP
SCHEMBL16586653 0.84 DNMT3A (0.90) DNMT3ADNMT1HRH3
SCHEMBL17996203 0.83 DNMT3A (0.88) DNMT3ADNMT1HRH3

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 6 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
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 2/4885DNMT1 1/4885HRH3 1983/4885
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors DNMT1, DNMT3A, DNMT3B DNMT3A 2/4885DNMT1 1/4885HRH3 1983/4885

“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.