SCHEMBL21721727

SCHEMBL21721727

CC(C)c1c(-c2cnn(C3CC3)c2)[nH]c2ncnn2c1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 8/20 0.52
KDM5A P29375 3/20 0.46
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 2/20 0.34
CYP3A7 P24462 2/20 0.34
CYP2C19 P33261 2/20 0.34
PDK4 Q16654 2/20 0.34
CYP3A43 Q9HB55 2/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
PIK3CD O00329 2/20 0.33
RET P07949 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
SCHEMBL21721764 0.97 KDM5B (0.54) KDM5BKDM5ATLR9TLR8TLR7
SCHEMBL21721735 0.85 KDM5B (0.47) KDM5BKDM5ATLR9TLR8TLR7
SCHEMBL20074121 0.85 KDM5B (0.58) KDM5BKDM5ATLR9TLR8TLR7
SCHEMBL20074327 0.83 KDM5B (0.55) KDM5BTLR9TLR8TLR7PIK3CD
SCHEMBL21681711 0.81 KDM5B (0.48) KDM5BKDM5ATLR9TLR8TLR7
SCHEMBL21720927 0.81 KDM5B (0.51) KDM5BKDM5ATSHR
SCHEMBL20074099 0.80 KDM5B (0.50) KDM5BKDM5ATSHR
SCHEMBL20074329 0.80 KDM5B (0.52) KDM5BKDM5ATSHR
SCHEMBL21681722 0.79 KDM5B (0.54) KDM5BKDM5ATSHR
SCHEMBL21721867 0.79 KDM5B (0.53) KDM5BKDM5ATLR9TLR8TLR7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3525785-B1 KDM5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-08-27 EP claimed
EP-3525785-B1 KDM5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-08-27 EP disclosed
US-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 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 (2 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-20200048258-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C KDM5B 2/4885KDM5A 1/4885TLR9 3578/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885KDM5A 1/4885TLR9 3578/4885

“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.