SCHEMBL16596382

SCHEMBL16596382

ClCCCOc1ccc2c(NCCCc3ccccc3)ncnc2c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.60
PIK3R1 P27986 2/20 0.60
EGFR P00533 4/20 0.58
AURKA O14965 2/20 0.55
MAPK1 P28482 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
APP P05067 1/20 0.53
DNMT1 P26358 4/20 0.53
DNMT3A Q9Y6K1 4/20 0.53
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCNC P24863 1/20 0.45
CDKN1A P38936 1/20 0.45
CDK8 P49336 1/20 0.45
CDK19 Q9BWU1 1/20 0.45

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
SCHEMBL16586076 0.97 PIK3CD (0.58) PIK3CDPIK3R1EGFRAURKAMAPK1
SCHEMBL17994857 0.91 EGFR (0.61) PIK3CDPIK3R1EGFRAURKAMAPK1
SCHEMBL17994858 0.89 EGFR (0.58) PIK3CDPIK3R1EGFRAURKAMAPK1
SCHEMBL19563559 0.84 AURKA (0.51) PIK3CDPIK3R1EGFRAURKAMAPK1
SCHEMBL1938919 0.83 AURKA (0.54) EGFRAURKAMAPK1HTTLMNA
SCHEMBL16585548 0.83 DNMT3A (0.70) PIK3CDPIK3R1EGFRMAPK1HTT
SCHEMBL16585467 0.83 DNMT1 (0.51) PIK3CDPIK3R1EGFRAURKAMAPK1
SCHEMBL28069972 0.82 EGFR (0.47) PIK3CDPIK3R1EGFRAURKAMAPK1
SCHEMBL1939067 0.82 AURKA (0.81) AURKA
SCHEMBL16596349 0.82 EGFR (0.55) PIK3CDPIK3R1EGFRAURKAMAPK1

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 PIK3CD 1984/4885PIK3R1 1983/4885EGFR 2443/4885

“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.