SCHEMBL14596335

SCHEMBL14596335

CC(=O)NCc1nc(N[C@H](C(N)=O)C(C)C)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.45
ELANE P08246 1/20 0.44
BCHE P06276 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 3/20 0.40
CFD P00746 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP2C19 P33261 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL14595979 0.92 ACHE (0.46) ACHEBCHEALDH1A1KMT2AAPP
SCHEMBL14595952 0.89 ACHE (0.51) ACHEBCHEALDH1A1KMT2AAPP
SCHEMBL14596333 0.88 ACHE (0.46) ACHEBCHEALDH1A1KMT2AAPP
SCHEMBL14595949 0.88 ACHE (0.42) ACHEELANEBCHEALDH1A1KMT2A
SCHEMBL14595714 0.88 TACR3 (0.44) ACHEELANEALDH1A1KMT2AAPP
SCHEMBL4602578 0.87 ACHE (0.44) ACHEBCHEALDH1A1KMT2AAPP
SCHEMBL4602573 0.87 ACHE (0.44) ACHEBCHEALDH1A1KMT2AAPP
SCHEMBL14595843 0.87 KMT2A (0.44) ACHEBCHEALDH1A1KMT2AAPP
SCHEMBL14595813 0.87 ACHE (0.49) ACHEBCHEALDH1A1KMT2AAPP
SCHEMBL14596276 0.87 ERCC1 (0.43) ACHEBCHEALDH1A1KMT2AAPP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015774-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-01-18 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-20070015774-A1 Quinazoline derivatives useful in cancer treatment TP53, TP53BP1, ACIN1 ACHE 4163/4885ELANE 1019/4885BCHE 3910/4885

“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.