SCHEMBL21721020

SCHEMBL21721020

CC(C)c1c(-c2ccc(C3CC3)nc2)[nH]c2ncnn2c1=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.51
NOTUM Q6P988 1/20 0.38
TLR8 Q9NR97 17/20 0.37
TLR7 Q9NYK1 17/20 0.37
TLR9 Q9NR96 16/20 0.37
PTGES O14684 1/20 0.35

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
SCHEMBL31676975 1.00 KDM5B (0.51) KDM5BNOTUMTLR8TLR7TLR9
SCHEMBL20074123 0.82 KDM5B (0.48) KDM5B
SCHEMBL31676997 0.82 KDM5B (0.48) KDM5B
SCHEMBL31676983 0.80 KDM5B (0.51) KDM5BTLR8TLR7TLR9
SCHEMBL21721785 0.80 KDM5B (0.51) KDM5BTLR8TLR7TLR9
SCHEMBL21721786 0.79 KDM5B (0.50) KDM5B
SCHEMBL20074339 0.79 KDM5B (0.50) KDM5BPTGES
SCHEMBL31676981 0.79 KDM5B (0.50) KDM5B
SCHEMBL20074120 0.79 KDM5B (0.52) KDM5BTLR8TLR7TLR9
SCHEMBL16092368 0.79 KDM5B (0.47) KDM5BNOTUMTLR8TLR7TLR9

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-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 2/4885NOTUM 2149/4885TLR8 3599/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885NOTUM 2149/4885TLR8 3599/4885

“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.