SCHEMBL14596333

SCHEMBL14596333

CNCc1nc(N[C@H](C(N)=O)C(C)C)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
BCHE P06276 2/20 0.42
APP P05067 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
CFD P00746 1/20 0.41
CCR4 P51679 3/20 0.40
ACP1 P24666 1/20 0.39
KCNH2 Q12809 1/20 0.37
TLR7 Q9NYK1 2/20 0.37
TLR8 Q9NR97 2/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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 0.89 ACHE (0.46) ACHEBCHEAPPALDH1A1KMT2A
SCHEMBL14596335 0.88 ACHE (0.45) ACHEBCHEAPPALDH1A1KMT2A
SCHEMBL4602035 0.88 CFD (0.47) ACHEBCHEAPPALDH1A1KMT2A
SCHEMBL4602032 0.88 CFD (0.47) ACHEBCHEAPPALDH1A1KMT2A
SCHEMBL14596259 0.87 TACR3 (0.46) ACHEAPPALDH1A1KMT2ACFD
SCHEMBL4602573 0.87 ACHE (0.44) ACHEBCHEAPPALDH1A1KMT2A
SCHEMBL4602578 0.87 ACHE (0.44) ACHEBCHEAPPALDH1A1KMT2A
SCHEMBL14595952 0.86 ACHE (0.51) ACHEBCHEAPPALDH1A1KMT2A
SCHEMBL14595949 0.85 ACHE (0.42) ACHEBCHEAPPALDH1A1KMT2A
SCHEMBL14595843 0.85 KMT2A (0.44) ACHEBCHEAPPALDH1A1KMT2A

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 4163/4885BCHE 3910/4885APP 4431/4885

“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.