SCHEMBL31754326

SCHEMBL31754326

CNC(Cc1ccc(N=C(N)N)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
SLC22A2 O15244 1/20 0.50
ITGB1 P05556 4/20 0.49
ITGB3 P05106 4/20 0.49
ITGAV P06756 4/20 0.49
ITGA2B P08514 3/20 0.49
ITGB5 P18084 3/20 0.49
PRSS1 P07477 8/20 0.49
TPSAB1 Q15661 3/20 0.49
PLAU P00749 3/20 0.49
ITGA4 P13612 1/20 0.47
F2 P00734 2/20 0.47
PLG P00747 2/20 0.47
PLAT P00750 2/20 0.47
PRSS2 P07478 6/20 0.47
PRSS3 P35030 6/20 0.47
AOC3 Q16853 1/20 0.47

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
SCHEMBL805214 0.83 FPR2 (0.56)
SCHEMBL25356787 0.80 PLA2G10 (0.51)
SCHEMBL25356783 0.80 PLA2G10 (0.51)
SCHEMBL25357735 0.80 PLA2G10 (0.51)
SCHEMBL1093903 0.79 CA2 (0.52) ITGB1ITGB3ITGA2B
SCHEMBL1093901 0.79 CA2 (0.52) ITGB1ITGB3ITGA2B
SCHEMBL25358515 0.79 L3MBTL1 (0.45) ITGB3ITGA2BTPSAB1
SCHEMBL31369570 0.79 L3MBTL1 (0.45) ITGB3ITGA2BTPSAB1
SCHEMBL25358511 0.79 L3MBTL1 (0.45) ITGB3ITGA2BTPSAB1
SCHEMBL30404207 0.79 CA2 (0.52) ITGB1ITGB3ITGA2B

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 ADRA2A 3580/4885ADRA2B 3461/4885ADRA2C 1428/4885

“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.