SCHEMBL16596346

SCHEMBL16596346

ClCCNc1ccnc2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.80
ADRA1D P25100 4/20 0.80
ADRA1A P35348 4/20 0.80
ADRA1B P35368 4/20 0.80
FERMT2 Q96AC1 1/20 0.71
HRH3 Q9Y5N1 5/20 0.58
CYP1A2 P05177 1/20 0.53
CCR1 P32246 1/20 0.50
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50

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
Hydrochloric Acid SCHEMBL16585703 0.98 HTR1A (0.77) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850466 0.84 HTR1A (0.89) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL18290254 0.84 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL22390094 0.84 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15929304 0.84 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL31197367 0.84 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL18095970 0.83 HTR1A (0.80) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL6698838 0.83 FERMT2 (1.00) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9591573 0.83 HTR1A (0.80) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8909254 0.83 HTR1A (0.80) HTR1AADRA1DADRA1AADRA1BFERMT2

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-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-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
WO-2016151144-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AS DNA METHYLTRANSFERASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2016-09-29 WO 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
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 (3 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 HTR1A 2853/4885ADRA1D 3223/4885ADRA1A 2917/4885
US-20160229834-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS DNMT1, DNMT3A, TPMT HTR1A 2733/4885ADRA1D 3354/4885ADRA1A 3039/4885
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors DNMT1, DNMT3A, DNMT3B HTR1A 2853/4885ADRA1D 3223/4885ADRA1A 2917/4885

“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.