SCHEMBL20074331

SCHEMBL20074331

CC(C)c1c(-c2ccncc2)[nH]c2ncnn2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 5/20 0.43
TSHR P16473 2/20 0.40
GSK3B P49841 2/20 0.35
TLR9 Q9NR96 3/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
CLK2 P49760 1/20 0.35
CSNK1G1 Q9HCP0 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
CDC7 O00311 2/20 0.33
GCGR P47871 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL20074320 0.97 KDM5B (0.46) KDM5BTSHRGSK3BTLR9TLR8
SCHEMBL20074277 0.88 KDM5B (0.42) KDM5BTSHRCCNB2CDK1CCNB1
SCHEMBL20074113 0.86 KDM5B (0.44) KDM5BTSHRGSK3BCCNB2CDK1
SCHEMBL20074328 0.86 KDM5B (0.44) KDM5BTSHRGSK3BCCNB2CDK1
SCHEMBL20074303 0.86 CCNB2 (0.47) KDM5BTSHRGSK3BCSNK1A1CCNB2
SCHEMBL20074337 0.85 KDM5B (0.44) KDM5BTSHRTLR9TLR8TLR7
SCHEMBL20074336 0.85 KDM5B (0.47) KDM5BTSHRTLR9TLR8TLR7
SCHEMBL20074312 0.85 KDM5B (0.49) KDM5BTSHRGSK3BCCNB2CDK1
SCHEMBL20074319 0.85 KDM5B (0.47) KDM5BTSHRTLR9TLR8TLR7
SCHEMBL31676967 0.85 KDM5B (0.47) KDM5BTSHRTLR9TLR8TLR7

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
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
WO-2018071283-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO 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 4342/4885GSK3B 172/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885TSHR 4342/4885GSK3B 172/4885

“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.