SCHEMBL18095967

SCHEMBL18095967

Oc1ccc2c(NCCCc3ccccc3)nc(Cl)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.62
PDE5A O76074 2/20 0.51
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
PIK3CD O00329 1/20 0.48
PIK3R1 P27986 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
GBA1 P04062 2/20 0.46
CYP3A4 P08684 1/20 0.45
ESR1 P03372 1/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
GRIN2B Q13224 1/20 0.41
EGFR P00533 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL18095969 0.83 APP (0.60) APPPDE5APIK3CDPIK3R1CYP1A2
SCHEMBL18103414 0.80 PIK3CD (0.62) APPPIK3CDPIK3R1CYP1A2CYP2D6
SCHEMBL17799869 0.77 APP (1.00) APPPDE5ACYP1A2CYP2D6CYP2C19
SCHEMBL20109377 0.75 DNMT3A (0.51) APPPDE5ACSNK2A2CSNK2BCSNK2A1
SCHEMBL18103376 0.74 DNMT3A (0.50) APPPDE5APIK3CDPIK3R1
SCHEMBL7330423 0.73 KMT2A (0.67) APPPDE5A
SCHEMBL31045263 0.72 APP (0.54) APPPDE5ACSNK2A2CSNK2BCSNK2A1
SCHEMBL31045039 0.72 APP (0.51) APPPDE5APIK3CDPIK3R1CYP1A2
SCHEMBL3121152 0.71 APP (0.81) APPPDE5AGBA1ESR1BCHE
SCHEMBL21055802 0.71 PDE5A (0.76) APPPDE5AGBA1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277676-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS DNA METHYLTRANSFERASE INHIBITORS PF MEDICAMENT (FR) 2023-03-22 EP disclosed
US-10450299-B2 Substituted quinazoline derivatives as DNA methyltransferase inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-10-22 US disclosed
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
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 APP 4814/4885PDE5A 1064/4885CSNK2A2 584/4885
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors DNMT1, DNMT3A, DNMT3B APP 4814/4885PDE5A 1064/4885CSNK2A2 584/4885

“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.