SCHEMBL5458321

SCHEMBL5458321

[CH2]Cc1cccc(-c2cncnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CYP2A6 P11509 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
PRMT6 Q96LA8 2/20 0.44
EPHX2 P34913 1/20 0.44
DHFR P00374 1/20 0.42
BACE1 P56817 2/20 0.42
PRKCI P41743 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ABL1 P00519 1/20 0.41
HRH3 Q9Y5N1 2/20 0.39
CYP19A1 P11511 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CYP2C9 P11712 1/20 0.38
PSMB5 P28074 1/20 0.37
GRM2 Q14416 1/20 0.36
KDR P35968 2/20 0.36
TEK Q02763 2/20 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
SCHEMBL27946360 0.81 ATM (0.48) ATMCYP2A6SCN8APRMT6EPHX2
SCHEMBL30866174 0.81 CYP4F2 (0.51) ATMCYP2A6SCN8APRMT6EPHX2
SCHEMBL9454006 0.81 CYP4F2 (0.51) ATMCYP2A6SCN8APRMT6EPHX2
SCHEMBL8241482 0.81 IDO1 (0.51) ATMCYP2A6SCN8APRMT6EPHX2
SCHEMBL20797575 0.81 CYP2A6 (0.50) ATMCYP2A6SCN8APRMT6EPHX2
SCHEMBL12241292 0.81 PRKCI (0.65) ATMCYP2A6SCN8APRMT6EPHX2
SCHEMBL22089054 0.79 ATM (0.67) ATMCYP2A6SCN8ADHFRBACE1
SCHEMBL5465795 0.78 PRKCI (0.67) PRMT6EPHX2DHFRPRKCIHRH3
SCHEMBL330073 0.77 AGXT (0.55) PRKCIHRH3CYP19A1
SCHEMBL22428530 0.77 ATM (0.64) ATMCYP2A6SCN8ADHFRBACE1

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 906/4885SCN8A 2178/4885

“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.