SCHEMBL5458318

SCHEMBL5458318

C[CH]c1cccc(-c2cncnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CYP2A6 P11509 1/20 0.45
ERN1 O75460 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
BACE1 P56817 11/20 0.38
KCNH2 Q12809 3/20 0.36
SCN8A Q9UQD0 1/20 0.36
MEN1 O00255 1/20 0.35
PSIP1 O75475 1/20 0.35
AXL P30530 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
KAT6A Q92794 1/20 0.35
DHFR P00374 2/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL8348566 0.81 ERN1 (0.50) ATMCYP2A6ERN1CNR1CNR2
SCHEMBL17127157 0.81 ATM (0.48) ATMCYP2A6ERN1CNR1CNR2
SCHEMBL22089054 0.79 ATM (0.67) ATMCYP2A6ERN1CNR1CNR2
SCHEMBL5465791 0.78 KIF11 (0.52) MKNK1
SCHEMBL4814582 0.78 ATM (0.45) ATMCYP2A6ERN1CNR1CNR2
SCHEMBL1005178 0.77 MAOA (0.44) KCNH2
SCHEMBL22428553 0.77 ATM (0.64) ATMCYP2A6ERN1CNR1CNR2
SCHEMBL22428530 0.77 ATM (0.64) ATMCYP2A6ERN1CNR1CNR2
SCHEMBL4583478 0.75 ATM (0.50) ATMCYP2A6ERN1
SCHEMBL5656090 0.75 CNR1 (0.43) ATMCYP2A6ERN1CNR1CNR2

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
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 US claimed
US-20070099958-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-05-03 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-20070099958-A1 Protease inhibitors CTSC, DPP7, BACE1 ATM 2956/4885CYP2A6 906/4885ERN1 3785/4885

“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.