SCHEMBL21721792

SCHEMBL21721792

CC(C)c1c(-c2ccsc2)[nH]c2ncnn2c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.47
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.37
BRD4 O60885 1/20 0.36
CDC7 O00311 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
CNR1 P21554 1/20 0.32
TGFBR1 P36897 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL20074331 0.85 KDM5B (0.43) KDM5BTSHRCDC7TDP1ALDH1A1
SCHEMBL20074277 0.83 KDM5B (0.42) KDM5BTSHRGAATDP1ALDH1A1
SCHEMBL20074320 0.82 KDM5B (0.46) KDM5BTSHRCDC7
SCHEMBL20074113 0.81 KDM5B (0.44) KDM5BTSHRTDP1ALDH1A1SIRT5
SCHEMBL20074328 0.81 KDM5B (0.44) KDM5BTSHRBRD4
SCHEMBL20074303 0.81 CCNB2 (0.47) KDM5BTSHRALDH1A1
SCHEMBL20074337 0.81 KDM5B (0.44) KDM5BTSHRTDP1ALDH1A1SIRT5
SCHEMBL21721717 0.79 KDM5B (0.46) KDM5BTSHRTDP1
SCHEMBL21721761 0.79 KDM5B (0.46) KDM5BTSHRTDP1ALDH1A1SIRT5
SCHEMBL20074105 0.79 KDM5B (0.46) KDM5BTSHRGAATDP1ALDH1A1

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 2/4885TSHR 4342/4885GAA 2998/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885TSHR 4342/4885GAA 2998/4885

“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.