SCHEMBL21721691

SCHEMBL21721691

CC(C)c1c(-c2ccc(CC#N)cc2)[nH]c2ncnn2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 7/20 0.50
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
TSHR P16473 2/20 0.35
CHEK1 O14757 1/20 0.34
TLR9 Q9NR96 3/20 0.34
TLR8 Q9NR97 3/20 0.34
TLR7 Q9NYK1 3/20 0.34
KDM5A P29375 3/20 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
SCHEMBL21721770 0.87 KDM5B (0.53) KDM5BPIK3CDABL1EGFRHCK
SCHEMBL31677025 0.87 KDM5B (0.53) KDM5BPIK3CDABL1EGFRHCK
SCHEMBL21721741 0.86 KDM5B (0.48) KDM5BTSHR
SCHEMBL21721879 0.85 KDM5B (0.47) KDM5B
SCHEMBL20074328 0.81 KDM5B (0.44) KDM5BTSHR
SCHEMBL20074303 0.81 CCNB2 (0.47) KDM5BABL1KDRTSHRCHEK1
SCHEMBL20074113 0.81 KDM5B (0.44) KDM5BTSHR
SCHEMBL20074277 0.81 KDM5B (0.42) KDM5BTSHRKDM5A
SCHEMBL20074320 0.80 KDM5B (0.46) KDM5BTSHRTLR9TLR8TLR7
SCHEMBL21721786 0.80 KDM5B (0.50) KDM5BPIK3CDABL1EGFRHCK

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 2/4885PIK3CD 1245/4885ABL1 159/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885PIK3CD 1245/4885ABL1 159/4885

“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.