SCHEMBL30913802

SCHEMBL30913802

COc1nc(-c2cccc3c2OCCO3)ccc1Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.74
KRAS P01116 1/20 0.74
CD274 Q9NZQ7 8/20 0.39
PDCD1 Q15116 6/20 0.39
NR1H4 Q96RI1 1/20 0.37
PDE4B Q07343 3/20 0.36
PDCD1LG2 Q9BQ51 2/20 0.36
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
RORC P51449 1/20 0.35
PDE4D Q08499 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 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
SCHEMBL21198782 1.00 HRAS (0.74) HRASKRASCD274PDCD1NR1H4
SCHEMBL30222612 0.93 HRAS (0.74) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21207083 0.93 HRAS (0.74) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21207032 0.91 HRAS (0.64) HRASKRASCD274PDCD1PDE4B
SCHEMBL21198599 0.89 HRAS (0.79) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21207183 0.88 HRAS (0.69) HRASKRASCD274PDCD1KDM4E
SCHEMBL21198397 0.88 HRAS (0.80) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21207151 0.86 HRAS (0.65) HRASKRASMAPT
SCHEMBL30913723 0.86 HRAS (0.65) HRASKRASMAPT
SCHEMBL21198059 0.86 HRAS (0.69) HRASKRASCD274PDCD1CTNNB1

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 1/4885CD274 3721/4885

“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.