SCHEMBL20109377

SCHEMBL20109377

Clc1nc(NCCCc2ccccc2)c2ccc(OCC3CCCCC3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 8/20 0.51
DNMT1 P26358 7/20 0.51
APP P05067 3/20 0.49
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PDE5A O76074 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL18103376 0.91 DNMT3A (0.50) DNMT3ADNMT1APPPIK3CDPIK3R1
SCHEMBL17994863 0.85 DNMT3A (0.66) DNMT3ADNMT1APPPIK3CDPIK3R1
SCHEMBL17994889 0.84 DNMT3A (0.67) DNMT3ADNMT1APPPIK3CDPIK3R1
SCHEMBL18103379 0.83 SLC2A1 (0.57) DNMT3ADNMT1APP
SCHEMBL18095971 0.83 DNMT3A (0.61) DNMT3ADNMT1APP
SCHEMBL18095969 0.82 APP (0.60) APPPIK3CDPIK3R1PDE5ACYP1A2
SCHEMBL18095968 0.81 DNMT3A (0.80) DNMT3ADNMT1APP
SCHEMBL20113704 0.80 DNMT3A (0.68) DNMT3ADNMT1
SCHEMBL16596213 0.76 DNMT3A (0.64) DNMT3ADNMT1APPPIK3CDPIK3R1
SCHEMBL18095967 0.75 APP (0.62) APPPIK3CDPIK3R1PDE5ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-05-03 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-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors DNMT1, DNMT3A, DNMT3B DNMT3A 2/4885DNMT1 1/4885APP 4814/4885

“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.