SCHEMBL31754317

SCHEMBL31754317

CN[C@@H](Cc1cccnc1)C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
FDPS P14324 1/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
NLRP3 Q96P20 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
FPR1 P21462 1/20 0.44
RECQL P46063 1/20 0.43
CYP2C19 P33261 1/20 0.43
USP30 Q70CQ3 1/20 0.43
RIPK1 Q13546 1/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL22803234 0.87 NLRP3 (0.46) TBXAS1CYP1A2CYP3A4CYP2C9FDPS
SCHEMBL24918847 0.87 NLRP3 (0.46) TBXAS1CYP1A2CYP3A4CYP2C9FDPS
SCHEMBL8908045 0.84 NLRP3 (0.48) CYP1A2CYP3A4CYP2C9FDPSLMNA
SCHEMBL14640282 0.84 TBXAS1 (0.57) TBXAS1CYP1A2CYP3A4CYP2C9FDPS
SCHEMBL12220088 0.84 TBXAS1 (0.50) TBXAS1CYP1A2CYP3A4CYP2C9FDPS
SCHEMBL30937414 0.84 TBXAS1 (0.57) TBXAS1CYP1A2CYP3A4CYP2C9FDPS
SCHEMBL6220905 0.84 TBXAS1 (0.57) TBXAS1CYP1A2CYP3A4CYP2C9FDPS
SCHEMBL31370303 0.84 TBXAS1 (0.57) TBXAS1CYP1A2CYP3A4CYP2C9FDPS
SCHEMBL14898388 0.84 TBXAS1 (0.50) TBXAS1CYP1A2CYP3A4CYP2C9FDPS
SCHEMBL29794529 0.84 TBXAS1 (0.57) TBXAS1CYP1A2CYP3A4CYP2C9FDPS

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 TBXAS1 4519/4885CYP1A2 4664/4885CYP3A4 4761/4885

“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.