SCHEMBL13192086

SCHEMBL13192086

Clc1ccc2ncnc(NCCN3CCOCC3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.72
CYP3A4 P08684 13/20 0.72
CLK4 Q9HAZ1 12/20 0.72
CYP2D6 P10635 11/20 0.72
USP2 O75604 9/20 0.72
MAPK1 P28482 3/20 0.72
ALDH1A1 P00352 9/20 0.68
HSD17B10 Q99714 7/20 0.68
KDM4E B2RXH2 3/20 0.67
CYP2C19 P33261 3/20 0.67
HPGD P15428 2/20 0.67
MAPT P10636 1/20 0.67
TSHR P16473 4/20 0.66
POLB P06746 1/20 0.66
LMNA P02545 1/20 0.63
HIF1A Q16665 1/20 0.63
NR2F2 P24468 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
EGFR P00533 1/20 0.59

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
SCHEMBL17165459 0.82 CYP1A2 (0.68) CYP1A2CYP3A4CLK4CYP2D6USP2
SCHEMBL31352463 0.81 KDM4E (0.57) CYP1A2CYP3A4CLK4CYP2D6USP2
SCHEMBL4007243 0.79 CYP1A2 (0.67) CYP1A2CYP3A4CLK4CYP2D6USP2
SCHEMBL17165395 0.78 CYP1A2 (0.62) CYP1A2CYP3A4CLK4CYP2D6USP2
SCHEMBL8103000 0.77 EGFR (0.65) CYP1A2CYP3A4CLK4CYP2D6USP2
SCHEMBL11846266 0.76 CYP1A2 (0.76) CYP1A2CYP2D6ALDH1A1KDM4EMAPT
SCHEMBL1675080 0.76 CYP1A2 (0.90) CYP1A2CYP3A4CLK4CYP2D6USP2
SCHEMBL17593455 0.75 CNR1 (0.75)
SCHEMBL4358539 0.75 CYP1A2 (0.65) CYP1A2CYP3A4CLK4CYP2D6USP2
SCHEMBL4007548 0.75 MAPK1 (0.63) CYP1A2CYP3A4CLK4CYP2D6USP2

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 CYP1A2 4274/4885CYP3A4 4069/4885CLK4 2339/4885

“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.