SCHEMBL21721887

SCHEMBL21721887

CC(C)c1c(-c2ccnc(C(F)(F)F)c2)[nH]c2ncnn2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 4/20 0.51
TLR8 Q9NR97 8/20 0.45
TLR7 Q9NYK1 8/20 0.45
TLR9 Q9NR96 7/20 0.45
AR P10275 1/20 0.37
TSHR P16473 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
TIPARP Q7Z3E1 1/20 0.36
PARP16 Q8N5Y8 1/20 0.36
PARP11 Q9NR21 1/20 0.36
IDO1 P14902 1/20 0.35
KCNQ1 P51787 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
KCNMB1 Q16558 1/20 0.34
KCNT1 Q5JUK3 1/20 0.34
KCNT2 Q6UVM3 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
SCHEMBL31677006 1.00 KDM5B (0.51) KDM5BTLR8TLR7TLR9AR
SCHEMBL20074339 0.83 KDM5B (0.50) KDM5BTSHRKCNH2PTGES
SCHEMBL20074315 0.83 KDM5B (0.51) KDM5BGRIN1GRIN2B
SCHEMBL31676960 0.83 KDM5B (0.51) KDM5BGRIN1GRIN2B
SCHEMBL20074319 0.82 KDM5B (0.47) KDM5BTLR8TLR7TLR9TSHR
SCHEMBL20074331 0.81 KDM5B (0.43) KDM5BTLR8TLR7TLR9TSHR
SCHEMBL20074320 0.79 KDM5B (0.46) KDM5BTLR8TLR7TLR9TSHR
SCHEMBL20074110 0.79 KDM5B (0.48) KDM5BTSHR
SCHEMBL20074317 0.78 KDM5B (0.52) KDM5BTSHR
SCHEMBL20074234 0.78 KDM5B (0.55) KDM5BTSHR

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 2/4885TLR8 3599/4885TLR7 2968/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885TLR8 3599/4885TLR7 2968/4885

“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.