SCHEMBL16586016

SCHEMBL16586016

c1ccc(CCCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)C4)ccc23)cc1

nearest known ligand 0.91

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 11/20 0.91
DNMT1 P26358 10/20 0.91
HRH3 Q9Y5N1 4/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
HIF1A Q16665 1/20 0.48
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 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
SCHEMBL16586019 0.95 DNMT3A (1.00) DNMT3ADNMT1HRH3CYP1A2CYP2D6
SCHEMBL16586653 0.92 DNMT3A (0.90) DNMT3ADNMT1HRH3ACHE
SCHEMBL16596234 0.91 DNMT3A (1.00) DNMT3ADNMT1HRH3CYP1A2CYP2D6
SCHEMBL20078527 0.91 DNMT3A (0.80) DNMT3ADNMT1HRH3CYP1A2CYP2D6
SCHEMBL20078459 0.89 DNMT3A (0.88) DNMT3ADNMT1HRH3AURKAAURKB
SCHEMBL16586246 0.89 DNMT3A (0.88) DNMT3ADNMT1HRH3
SCHEMBL17996203 0.89 DNMT3A (0.88) DNMT3ADNMT1HRH3AURKAAURKB
SCHEMBL16585557 0.88 DNMT3A (1.00) DNMT3ADNMT1ACHE
SCHEMBL16596360 0.88 DNMT3A (0.92) DNMT3ADNMT1HRH3CYP1A2CYP2D6
SCHEMBL16586859 0.87 DNMT3A (0.91) DNMT3ADNMT1HRH3CYP1A2CYP2D6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951044-B2 Quinazoline derivatives and their use as DNA methyltransferase inhibitors PIERRE FABRE MEDICAMENT (FR) 2018-04-24 US disclosed
US-9951044-B2 Quinazoline derivatives and their use as DNA methyltransferase inhibitors PIERRE FABRE MEDICAMENT (FR) 2018-04-24 US disclosed
US-9951044-B2 Quinazoline derivatives and their use as DNA methyltransferase inhibitors PIERRE FABRE MEDICAMENT (FR) 2018-04-24 US disclosed
EP-3046917-B1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS PF MEDICAMENT (FR) 2017-11-08 EP disclosed
EP-3046917-B1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS PF MEDICAMENT (FR) 2017-11-08 EP disclosed
US-20160229834-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2016-08-11 US disclosed
US-20160229834-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2016-08-11 US disclosed
US-20160229834-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2016-08-11 US disclosed
EP-3046917-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS Pierre Fabre Médicament (FR) 2016-07-27 EP disclosed
WO-2015040169-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2015-03-26 WO disclosed
WO-2015040169-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2015-03-26 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 (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-20160229834-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS DNMT1, DNMT3A, TPMT DNMT3A 2/4885DNMT1 1/4885HRH3 1965/4885

“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.