SCHEMBL13192080

SCHEMBL13192080

Ic1ccc2ncnc(NCCc3ccccc3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.70
MAPK1 P28482 2/20 0.70
LMNA P02545 2/20 0.70
EGFR P00533 2/20 0.70
APP P05067 1/20 0.70
CCNC P24863 3/20 0.67
CDK8 P49336 3/20 0.67
CDKN1A P38936 1/20 0.67
CDK19 Q9BWU1 1/20 0.67
CNR1 P21554 1/20 0.62
CNR2 P34972 1/20 0.62
PIK3CD O00329 1/20 0.62
PIK3R1 P27986 1/20 0.62
DYRK1A Q13627 1/20 0.59
FYN P06241 1/20 0.58
SRC P12931 1/20 0.58
NR2F2 P24468 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
SLC29A1 Q99808 1/20 0.53
AURKA O14965 1/20 0.52

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
SCHEMBL1734678 0.86 LMNA (0.72) HTTMAPK1LMNAEGFRNR2F2
SCHEMBL13283269 0.85 HTT (0.76) HTTMAPK1LMNAEGFRAPP
SCHEMBL9921509 0.84 PIK3CD (0.85) HTTMAPK1LMNAEGFRAPP
SCHEMBL13912334 0.84 EGFR (0.76) HTTMAPK1LMNAEGFRAPP
SCHEMBL4741967 0.84 HTT (0.70) HTTMAPK1LMNAEGFRAPP
SCHEMBL8497590 0.83 APP (1.00) HTTMAPK1LMNAEGFRAPP
SCHEMBL7411782 0.82 HTT (0.52) HTTMAPK1LMNAEGFRAPP
SCHEMBL16172718 0.81 CCNC (1.00) HTTMAPK1LMNAEGFRAPP
SCHEMBL29383948 0.81 CCNC (1.00) HTTMAPK1LMNAEGFRAPP
SCHEMBL1585442 0.80 LMNA (0.71) HTTLMNAEGFRCCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117295716-A Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors 麦克尼斯迪克治疗有限公司 2023-12-26 CN disclosed
US-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2012-10-11 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-20120258975-A1 Potent Small Molecule Inhibitors of Autophagy, and Methods of Use Thereof ATG7, BECN1, SQSTM1 HTT 4078/4885MAPK1 310/4885LMNA 3469/4885

“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.