SCHEMBL24944817

SCHEMBL24944817

COCc1cnc(C(C)(C)C)nc1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
DHFR P00374 1/20 0.30

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
SCHEMBL21341344 0.82 LMNA (0.42) LMNAKDM4EDHFR
SCHEMBL19364318 0.81 LMNA (0.41) LMNAKDM4EDHFR
SCHEMBL38655938 0.80 LMNA (0.39) LMNAKDM4E
SCHEMBL38656037 0.80 LMNA (0.42) LMNAKDM4E
SCHEMBL21398078 0.79 NOS3 (0.37) DHFR
SCHEMBL24943815 0.79 LMNA (0.40) LMNAKDM4E
SCHEMBL38656461 0.79 LMNA (0.38) LMNAKDM4E
SCHEMBL20618234 0.77 LMNA (0.67) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL26304323 0.74 LMNA (0.49) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL22778456 0.71 RXRA (0.33) LMNA

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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA LMNA 1748/4885KDM4E 2224/4885ALDH1A1 4501/4885

“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.