SCHEMBL16596345

SCHEMBL16596345

CC(C)(C)OC(=O)NCCCNc1ccnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.58
▸ ADRA1D P25100 2/20 0.58
▸ ADRA1A P35348 2/20 0.58
▸ ADRA1B P35368 2/20 0.58
▸ FERMT2 Q96AC1 1/20 0.50
▸ BRD4 O60885 3/20 0.49
▸ BCHE P06276 1/20 0.47
▸ STK17B O94768 1/20 0.47
▸ STK17A Q9UEE5 1/20 0.47
▸ HRH3 Q9Y5N1 4/20 0.47
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46

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
SCHEMBL16596384 0.98 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL23904665 0.82 CCR1 (0.66) FERMT2HRH3
SCHEMBL19563522 0.81 CYP3A4 (0.49) BRD4BCHE
SCHEMBL19563557 0.81 SMN1; SMN2 (0.60) HTR1AADRA1DADRA1AADRA1BBRD4
SCHEMBL24863495 0.81 ACACB (0.55) BRD4BCHESTK17BSTK17A
SCHEMBL17981164 0.80 PTPN1 (0.56) HTR1AADRA1DADRA1AADRA1BSTK17A
SCHEMBL20434212 0.79 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BBRD4
SCHEMBL1232778 0.79 STK17B (0.47) BRD4BCHESTK17BSTK17A
SCHEMBL16585438 0.78 AAK1 (0.48) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15924004 0.78 HTR1A (0.63) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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 HTR1A 2733/4885ADRA1D 3354/4885ADRA1A 3039/4885

“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.

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