SCHEMBL16596347

SCHEMBL16596347

O=c1[nH]cnc2cc(OCC3CCNCC3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.51
PARP10 Q53GL7 4/20 0.51
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
HTR3A P46098 2/20 0.51
KCNH2 Q12809 2/20 0.51
MAP2K1 Q02750 1/20 0.48
SLC6A3 Q01959 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
PARP1 P09874 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CHEK1 O14757 1/20 0.46
PIM1 P11309 1/20 0.46
RPS6KA3 P51812 1/20 0.46
KHK P50053 2/20 0.43
IP6K1 Q92551 1/20 0.43
PRKCZ Q05513 1/20 0.43
CYP2D6 P10635 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ITGB3 P05106 1/20 0.42

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
SCHEMBL17994866 0.89 PARP10 (0.62) PARP15PARP10MAP2K1PARP1ALDH1A1
SCHEMBL29602727 0.86 PIK3CD (0.51) PARP15PARP10MAP2K1PARP1ALDH1A1
Hydrochloric Acid SCHEMBL31571643 0.85 PIK3CD (0.50) PARP15PARP10MAP2K1PARP1ALDH1A1
SCHEMBL12694357 0.84 MAOA (0.54) PARP15PARP10PARP1ALDH1A1CHEK1
SCHEMBL29602701 0.82 XDH (0.48) PARP15PARP10MAP2K1PARP1ALDH1A1
SCHEMBL29603086 0.82 XDH (0.48) PARP15PARP10MAP2K1PARP1ALDH1A1
SCHEMBL29603635 0.80 PARP15 (0.47) PARP15PARP10MAP2K1PARP1ALDH1A1
SCHEMBL8934414 0.79 MAP2K1 (0.74) PARP15PARP10SLC6A2SLC6A4HTR3A
SCHEMBL16596214 0.77 CHEK2 (0.51) CHEK2
SCHEMBL16585770 0.76 SLC6A2 (0.52) PARP15PARP10SLC6A2SLC6A4HTR3A

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 7 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
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 PARP15 234/4885PARP10 385/4885SLC6A2 835/4885

“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.