SCHEMBL21721735

SCHEMBL21721735

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 14/20 0.47
KDM5A P29375 1/20 0.41
TSHR P16473 1/20 0.38
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
BRD4 O60885 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL21681711 0.86 KDM5B (0.48) KDM5BKDM5ATSHRTLR9TLR8
SCHEMBL21721867 0.86 KDM5B (0.53) KDM5BKDM5ATSHRTLR9TLR8
SCHEMBL21681722 0.86 KDM5B (0.54) KDM5BKDM5ATSHR
SCHEMBL21720927 0.85 KDM5B (0.51) KDM5BKDM5ATSHR
SCHEMBL20074100 0.85 KDM5B (0.53) KDM5BKDM5ATSHR
SCHEMBL21721727 0.85 KDM5B (0.52) KDM5BKDM5ATSHRTLR9TLR8
SCHEMBL20074099 0.84 KDM5B (0.50) KDM5BKDM5ATSHR
SCHEMBL20074329 0.84 KDM5B (0.52) KDM5BKDM5ATSHR
SCHEMBL21721764 0.84 KDM5B (0.54) KDM5BKDM5ATSHRTLR9TLR8
SCHEMBL20074337 0.83 KDM5B (0.44) KDM5BKDM5ATSHRTLR9TLR8

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 3 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
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 1/4885TSHR 4342/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885KDM5A 1/4885TSHR 4342/4885

“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.