SCHEMBL25754719

SCHEMBL25754719

CNc1cncc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.53
CNR1 P21554 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.45
TSHR P16473 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
DHODH Q02127 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CHRNA7 P36544 1/20 0.41
SMO Q99835 1/20 0.41
PIK3CB P42338 1/20 0.41
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
MAPT P10636 1/20 0.39
GSK3B P49841 1/20 0.39

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
Hydrochloric Acid SCHEMBL27958833 0.98 FDPS (0.51) FDPSCNR1KDM4EALDH1A1ATM
SCHEMBL21915556 0.83 FDPS (0.56) FDPSCNR1ATMCYP11B1CYP11B2
SCHEMBL27676679 0.80 FDPS (0.53) FDPSCNR1ATMCYP11B1CYP11B2
SCHEMBL4192415 0.80 XDH (0.59) FDPSCNR1ALDH1A1ATMTSHR
SCHEMBL24336502 0.80 FDPS (0.53) FDPSCNR1ATMCYP11B1CYP11B2
SCHEMBL27405411 0.79 FDPS (0.60) FDPSCNR1ALDH1A1ATMTSHR
SCHEMBL25755091 0.78 KIF11 (0.50) CNR1KDM4EALDH1A1IRAK4XDH
SCHEMBL21692173 0.78 ATM (0.62) FDPSALDH1A1ATMCYP11B1CYP11B2
SCHEMBL722248 0.78 ATM (0.62) FDPSALDH1A1ATMCYP11B1CYP11B2
SCHEMBL18290888 0.76 TSHR (0.55) FDPSCNR1KDM4EALDH1A1TSHR

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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
WO-2023121184-A1 SUBSTITUTED THIAZOLIDINEDIONE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, COMPRISING SAME (주)메디픽 2023-06-29 WO 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV FDPS 3394/4885CNR1 1813/4885KDM4E 3682/4885

“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.