SCHEMBL31754329

SCHEMBL31754329

Nc1ccnc2ccc(CC(N)C(=O)O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
SLC7A5 Q01650 4/20 0.50
HSD17B10 Q99714 2/20 0.50
PTGS1 P23219 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
EGFR P00533 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ALOX15 P16050 1/20 0.50
HTR2A P28223 1/20 0.50
PTGS2 P35354 1/20 0.50
RECQL P46063 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NR4A2 P43354 1/20 0.45
ALPI P09923 1/20 0.45
XIAP P98170 1/20 0.45
GRIA2 P42262 1/20 0.42

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
SCHEMBL6716399 0.81 PKM (0.64) PKMSLC7A5HSD17B10PTGS1KDM4E
SCHEMBL24845983 0.81 PKM (0.64) PKMSLC7A5HSD17B10PTGS1KDM4E
SCHEMBL6716402 0.81 PKM (0.64) PKMSLC7A5HSD17B10PTGS1KDM4E
Hydrochloric Acid SCHEMBL11323327 0.80 PKM (0.67) PKMSLC7A5HSD17B10PTGS1KDM4E
SCHEMBL23330366 0.78 NR4A2 (0.51) KDM4EEGFRHIF1ANR4A2
Hydrochloric Acid SCHEMBL6435932 0.77 PKM (0.49) PKMSLC7A5HSD17B10PTGS1KDM4E
SCHEMBL25354508 0.76 GABRP (0.60) PKMSLC7A5HSD17B10PTGS1KDM4E
SCHEMBL22775321 0.76 GABRP (0.60) PKMSLC7A5HSD17B10PTGS1KDM4E
SCHEMBL29604446 0.76 GABRP (0.60) PKMSLC7A5HSD17B10PTGS1KDM4E
SCHEMBL14780595 0.76 GABRP (0.60) PKMSLC7A5HSD17B10PTGS1KDM4E

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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS PKM 4530/4885SLC7A5 308/4885HSD17B10 4549/4885

“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.