SCHEMBL21037833

SCHEMBL21037833

CC(C)[C@H](C)c1ccc(C#N)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CHEK1 O14757 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
AR P10275 1/20 0.33
ATM Q13315 1/20 0.33
PANK3 Q9H999 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
EPHX2 P34913 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
SCHEMBL17000196 1.00 PIK3CD (0.35) PIK3CDABL1EGFRHCKSRC
SCHEMBL15157391 0.85 SCN10A (0.40) PIK3CDABL1EGFRHCKSRC
SCHEMBL104694 0.84 PANK3 (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL26917176 0.81 SCN10A (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL30521444 0.81 PGR (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL26917172 0.81 SCN10A (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL14480360 0.81 SCN10A (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL10328716 0.81 PGR (0.39) PIK3CDABL1EGFRHCKSRC
SCHEMBL27980447 0.81 KDM5B (0.36) PIK3CDABL1EGFRHCKSRC
Hydrochloric Acid SCHEMBL14480220 0.79 SCN10A (0.38) PIK3CDABL1EGFRHCKSRC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301317-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2019-05-28 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 (1 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-10301317-B2 Inhibitors of ERK and methods of use MAP3K1, MAP3K2, MAP3K6 PIK3CD 234/4885ABL1 96/4885EGFR 262/4885

“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.