SCHEMBL29472292

SCHEMBL29472292

CNc1ccc2c(ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.44
ABL1 P00519 2/20 0.44
EGFR P00533 2/20 0.44
HCK P08631 2/20 0.44
SRC P12931 2/20 0.44
KDR P35968 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
MTOR P42345 2/20 0.44
PIK3CG P48736 2/20 0.44
EPHB4 P54760 2/20 0.44
PRKDC P78527 2/20 0.44
PI4KB Q9UBF8 2/20 0.44
NR1H2 P55055 3/20 0.38
BUB1 O43683 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
GRM4 Q14833 1/20 0.36
ACLY P53396 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL3044085 0.86 PIK3CD (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL17782354 0.84 NR1H2 (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL29245694 0.82 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL18235920 0.82 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL30366867 0.82 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL1273077 0.81 HTR6 (0.49) PIK3CDABL1EGFRHCKSRC
SCHEMBL3269495 0.81 PIK3CD (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL30366878 0.80 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL29245797 0.80 PIK3CD (0.41) PIK3CDABL1EGFRHCKSRC
SCHEMBL13456554 0.80 KDR (0.42) 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-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-03-31 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-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB PIK3CD 122/4885ABL1 1191/4885EGFR 1481/4885

“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.