SCHEMBL16596248

SCHEMBL16596248

ClCCNc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.46
FDPS P14324 1/20 0.41
F2 P00734 6/20 0.41
ADRA2B P18089 1/20 0.41
KCNH2 Q12809 1/20 0.40
GRIN2B Q13224 1/20 0.40
MDM2 Q00987 1/20 0.38
ROCK2 O75116 1/20 0.37
RAD52 P43351 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL3223115 0.76 CTSD (0.46) CTSDFDPSF2ADRA2BKCNH2
SCHEMBL714498 0.76 CTSD (0.46) CTSDFDPSF2ADRA2BKCNH2
SCHEMBL1282816 0.76 CTSD (0.46) CTSDFDPSF2ADRA2BKCNH2
SCHEMBL1678422 0.76 ADRA2B (0.49) CTSDFDPSF2ADRA2BKCNH2
SCHEMBL14985489 0.76 CTSD (0.46) CTSDFDPSF2ADRA2BKCNH2
SCHEMBL7054279 0.76 LIMK1 (0.51) CTSDFDPSF2ADRA2BKCNH2
SCHEMBL5495415 0.76 CTSD (0.46) CTSDFDPSF2ADRA2BKCNH2
SCHEMBL6138610 0.75 ALDH1A1 (0.64) CTSDMAPTALDH1A1
SCHEMBL27316413 0.74 RAB9A (0.50) MEN1KMT2A
SCHEMBL1950296 0.73 MAPT (0.42) MAPTALDH1A1MEN1KMT2ATAAR1

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
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
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

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 CTSD 3919/4885FDPS 1565/4885F2 4716/4885
US-20160229834-A1 QUINAZOLINE DERIVATIVES AND THEIR USE AS DNA METHYLTRANSFERASE INHIBITORS DNMT1, DNMT3A, TPMT CTSD 3995/4885FDPS 1656/4885F2 4712/4885
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors DNMT1, DNMT3A, DNMT3B CTSD 3919/4885FDPS 1565/4885F2 4716/4885

“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.