SCHEMBL30913745

SCHEMBL30913745

COc1nc(-c2cccc3c2OCCO3)ccc1Nc1ccc(CNC[C@H]2COCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.54
KRAS P01116 1/20 0.54
METTL3 Q86U44 1/20 0.34
IL1B P01584 1/20 0.32
P2RX7 Q99572 1/20 0.32
CD274 Q9NZQ7 13/20 0.32
PDCD1 Q15116 4/20 0.32
PDCD1LG2 Q9BQ51 9/20 0.32
TYK2 P29597 1/20 0.31
JAK2 O60674 2/20 0.31
JAK3 P52333 2/20 0.31
PTK2 Q05397 2/20 0.31
ALK Q9UM73 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
SCHEMBL21198638 1.00 HRAS (0.54) HRASKRASMETTL3IL1BP2RX7
SCHEMBL22886993 1.00 HRAS (0.54) HRASKRASMETTL3IL1BP2RX7
SCHEMBL21198639 1.00 HRAS (0.54) HRASKRASMETTL3IL1BP2RX7
SCHEMBL21206999 0.88 HRAS (0.41) HRASKRASMETTL3IL1BP2RX7
SCHEMBL30913771 0.88 HRAS (0.41) HRASKRASMETTL3IL1BP2RX7
SCHEMBL30222552 0.87 HRAS (0.37) HRASKRASMETTL3IL1BP2RX7
SCHEMBL21202207 0.87 HRAS (0.37) HRASKRASMETTL3IL1BP2RX7
SCHEMBL21206993 0.86 HRAS (0.59) HRASKRASCD274PDCD1JAK2
SCHEMBL21207030 0.86 MAPT (0.38) HRASKRASMETTL3IL1BP2RX7
SCHEMBL30222588 0.86 HRAS (0.59) HRASKRASCD274PDCD1JAK2

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-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 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-12024506-B2 Compounds KRAS, NRAS, HRAS HRAS 3/4885KRAS 1/4885METTL3 4361/4885

“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.