SCHEMBL16596355

SCHEMBL16596355

CC(C)(C)OC(=O)N1CCC(COc2ccc3c(NCCc4ccc(N)cc4)ncnc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 7/20 0.52
DNMT1 P26358 6/20 0.52
KDR P35968 10/20 0.47
AURKA O14965 2/20 0.45
CDK1 P06493 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
CHEK2 O96017 1/20 0.44

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
SCHEMBL17996103 0.93 DNMT3A (0.52) DNMT3ADNMT1KDRAURKACDK1
SCHEMBL17996102 0.93 DNMT3A (0.60) DNMT3ADNMT1KDRAURKA
SCHEMBL17996119 0.92 DNMT3A (0.51) DNMT3ADNMT1KDRAURKACDK1
SCHEMBL17996117 0.91 DNMT3A (0.49) DNMT3ADNMT1KDRAURKACHEK2
SCHEMBL17996085 0.89 DNMT3A (0.49) DNMT3ADNMT1KDRAURKA
SCHEMBL17996101 0.88 DNMT3A (0.51) DNMT3ADNMT1KDRAURKACDK1
SCHEMBL16596215 0.88 DNMT3A (0.61) DNMT3ADNMT1KDRAURKACDK1
SCHEMBL17996083 0.85 DNMT3A (0.48) DNMT3ADNMT1KDRAURKACDK1
SCHEMBL16596259 0.85 DNMT1 (0.59) DNMT3ADNMT1KDRAURKACDK1
SCHEMBL17996124 0.83 DNMT3A (0.58) DNMT3ADNMT1KDRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2015040169-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2015-03-26 WO disclosed
US-8952016-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-02-10 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-20160229834-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS DNMT1, DNMT3A, TPMT DNMT3A 2/4885DNMT1 1/4885KDR 2496/4885

“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.