SCHEMBL26522958

SCHEMBL26522958

CC(C)(C)c1cccc2cc(F)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
PSMD14 O00487 1/20 0.38
COPS5 Q92905 1/20 0.38
CA2 P00918 1/20 0.35
HTR1A P08908 1/20 0.34
CCR1 P32246 2/20 0.34
CCR5 P51681 2/20 0.34
CCR8 P51685 2/20 0.34
HTR2A P28223 2/20 0.34
HTR6 P50406 2/20 0.34
PARP1 P09874 1/20 0.33
SLC40A1 Q9NP59 3/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL4548616 0.81 KDM4E (0.39) KDM4EPSMD14COPS5CA2CCR1
SCHEMBL13437140 0.80 KDM4E (0.43) KDM4EPSMD14COPS5HTR1APARP1
SCHEMBL26523059 0.79 KDM4E (0.38) KDM4EPSMD14COPS5CA2CCR1
SCHEMBL26523058 0.79 KDM4E (0.45) KDM4EPSMD14COPS5CA2CCR1
SCHEMBL13437128 0.77 CCR1 (0.43) KDM4EPSMD14COPS5HTR1ACCR1
SCHEMBL14596483 0.77 KDM4E (0.44) KDM4EPSMD14COPS5HTR1ACCR1
SCHEMBL3708915 0.77 KDM4E (0.37) KDM4EPSMD14COPS5PARP1SLC40A1
SCHEMBL30081466 0.77 KDM4E (0.44) KDM4EPSMD14COPS5HTR1ACCR1
SCHEMBL3713340 0.74 BACE1 (0.41) KDM4EPSMD14COPS5HTR1ACCR1
SCHEMBL21976706 0.73 PKLR (0.41) KDM4ECA2HTR2AHTR6SLC40A1

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-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 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-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR KDM4E 3349/4885PSMD14 4383/4885COPS5 3834/4885

“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.