SCHEMBL18095982

SCHEMBL18095982

CN1CCN(c2nc(NCCCc3ccccc3)c3ccc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)cc3n2)CC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 12/20 0.75
DNMT1 P26358 10/20 0.75
HRH4 Q9H3N8 3/20 0.51
HRH3 Q9Y5N1 3/20 0.48
PDE5A O76074 1/20 0.45
HTR3A P46098 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL20113792 0.92 DNMT3A (0.64) DNMT3ADNMT1HRH4HRH3PDE5A
SCHEMBL18103395 0.89 DNMT3A (0.59) DNMT3ADNMT1HRH4PDE5AHTR3A
SCHEMBL18095968 0.88 DNMT3A (0.80) DNMT3ADNMT1HRH3
SCHEMBL16586019 0.86 DNMT3A (1.00) DNMT3ADNMT1HRH3
SCHEMBL18103385 0.84 DNMT3A (0.71) DNMT3ADNMT1HRH3
SCHEMBL18095983 0.83 DNMT3A (0.63) DNMT3ADNMT1
SCHEMBL16586653 0.82 DNMT3A (0.90) DNMT3ADNMT1HRH3
SCHEMBL16586016 0.82 DNMT3A (0.91) DNMT3ADNMT1HRH3
SCHEMBL16596234 0.81 DNMT3A (1.00) DNMT3ADNMT1HRH3
SCHEMBL17996203 0.81 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 1/4885HRH4 3065/4885
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors DNMT1, DNMT3A, DNMT3B DNMT3A 2/4885DNMT1 1/4885HRH4 3065/4885

“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.