SCHEMBL30913765

SCHEMBL30913765

COc1nc(-c2cccc3c2OCCO3)ccc1Nc1ccc(CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.66
KRAS P01116 1/20 0.66
BRD4 O60885 2/20 0.40
NAMPT P43490 2/20 0.39
CD274 Q9NZQ7 9/20 0.38
PDCD1 Q15116 4/20 0.38
PDCD1LG2 Q9BQ51 5/20 0.36
IGF1R P08069 1/20 0.35
MTNR1A P48039 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL21207104 1.00 HRAS (0.66) HRASKRASBRD4NAMPTCD274
SCHEMBL29066259 0.93 HRAS (0.62) HRASKRASBRD4CD274PDCD1
SCHEMBL21201481 0.92 HRAS (0.57) HRASKRASBRD4NAMPTCD274
SCHEMBL24329998 0.88 HRAS (0.68) HRASKRASBRD4NAMPTCD274
SCHEMBL29582873 0.88 HRAS (0.68) HRASKRASBRD4NAMPTCD274
SCHEMBL21207018 0.84 HRAS (0.58) HRASKRASNAMPTCD274PDCD1
SCHEMBL30222551 0.84 HRAS (0.58) HRASKRASNAMPTCD274PDCD1
SCHEMBL21207083 0.84 HRAS (0.74) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL30913802 0.84 HRAS (0.74) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21198782 0.84 HRAS (0.74) HRASKRASCD274PDCD1PDCD1LG2

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 1/4885BRD4 731/4885

“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.