SCHEMBL21721786

SCHEMBL21721786

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 5/20 0.50
EGLN2 Q96KS0 1/20 0.43
VHL P40337 1/20 0.39
SYK P43405 1/20 0.36
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
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
TSHR P16473 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
KDM5A P29375 5/20 0.33
MAPK1 P28482 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
SCHEMBL31676981 1.00 KDM5B (0.50) KDM5BEGLN2VHLSYKPIK3CD
SCHEMBL21721879 0.85 KDM5B (0.47) KDM5BEGLN2
SCHEMBL31676997 0.83 KDM5B (0.48) KDM5BTSHR
SCHEMBL20074123 0.83 KDM5B (0.48) KDM5BTSHR
SCHEMBL21721785 0.81 KDM5B (0.51) KDM5BTSHR
SCHEMBL31676983 0.81 KDM5B (0.51) KDM5BTSHR
SCHEMBL21721691 0.80 KDM5B (0.50) KDM5BPIK3CDABL1EGFRHCK
SCHEMBL20074339 0.80 KDM5B (0.50) KDM5BPIK3CAPI4KBTSHR
SCHEMBL20074207 0.79 KDM5B (0.39) KDM5BTSHR
SCHEMBL21721717 0.79 KDM5B (0.46) 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 2/4885EGLN2 600/4885VHL 283/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885EGLN2 600/4885VHL 283/4885

“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.