SCHEMBL13192048

SCHEMBL13192048

Clc1ccc2ncnc(NCc3ccncc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.61
PDE5A O76074 1/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 1/20 0.61
EGFR P00533 4/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CLK4 Q9HAZ1 2/20 0.58
CNR1 P21554 2/20 0.57
CNR2 P34972 1/20 0.57
USP10 Q14694 1/20 0.57
PIK3C3 Q8NEB9 1/20 0.57
USP13 Q92995 1/20 0.57
MAPK1 P28482 1/20 0.56
PIK3CD O00329 1/20 0.56
PIK3R1 P27986 1/20 0.56
NR2F2 P24468 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL9921508 0.90 HTT (0.74) HTTSMN1; SMN2MEN1PDE5AALDH1A1
SCHEMBL9921364 0.87 LMNA (0.72) HTTSMN1; SMN2MEN1PDE5AALDH1A1
SCHEMBL13192081 0.85 HTT (0.64) HTTSMN1; SMN2MEN1PDE5AALDH1A1
SCHEMBL13192093 0.85 EGFR (0.67) HTTSMN1; SMN2MEN1PDE5AALDH1A1
SCHEMBL13192092 0.84 CNR1 (0.78) HTTSMN1; SMN2MEN1PDE5AALDH1A1
SCHEMBL7500991 0.82 PDE5A (0.67) HTTSMN1; SMN2MEN1PDE5AALDH1A1
SCHEMBL9921356 0.81 MEN1 (0.65) HTTSMN1; SMN2MEN1PDE5AALDH1A1
SCHEMBL8862837 0.80 PDE5A (0.64) HTTSMN1; SMN2MEN1PDE5AALDH1A1
SCHEMBL13191864 0.80 EGFR (0.61) HTTSMN1; SMN2MEN1PDE5AALDH1A1
SCHEMBL9921504 0.80 EGFR (0.67) HTTSMN1; SMN2MEN1PDE5AALDH1A1

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-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 4078/4885SMN1; SMN2 3442/4885MEN1 2998/4885

“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.