SCHEMBL21201481

SCHEMBL21201481

COc1nc(-c2cccc3c2OCCO3)ccc1Nc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.57
KRAS P01116 1/20 0.57
BRD4 O60885 3/20 0.43
CD274 Q9NZQ7 10/20 0.38
PDCD1 Q15116 7/20 0.38
GLS O94925 2/20 0.37
CCKBR P32239 1/20 0.37
CREBBP Q92793 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PDCD1LG2 Q9BQ51 3/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
NAMPT P43490 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
SCHEMBL30913765 0.92 HRAS (0.66) HRASKRASBRD4CD274PDCD1
SCHEMBL21207104 0.92 HRAS (0.66) HRASKRASBRD4CD274PDCD1
SCHEMBL29066259 0.85 HRAS (0.62) HRASKRASBRD4CD274PDCD1
SCHEMBL30222421 0.85 HRAS (0.57) HRASKRASCD274PDCD1
SCHEMBL21198663 0.85 HRAS (0.57) HRASKRASCD274PDCD1
SCHEMBL21198035 0.85 HRAS (0.51) HRASKRASBRD4CD274PDCD1
SCHEMBL21207032 0.84 HRAS (0.64) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21198328 0.84 HRAS (0.68) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL30913731 0.84 HRAS (0.68) HRASKRASCD274PDCD1PDCD1LG2
SCHEMBL21207015 0.84 HRAS (0.55) HRASKRAS

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743421-A1 COMPOUNDS Oxford University Innovation Limited (GB) 2020-12-02 EP claimed
WO-2019145718-A1 COMPOUNDS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 WO claimed
US-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 US disclosed
US-12024506-B2 Compounds THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-07-02 US disclosed
US-20210009576-A1 COMPOUNDS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-01-14 US disclosed
EP-3743421-A1 COMPOUNDS Oxford University Innovation Limited (GB) 2020-12-02 EP disclosed
WO-2019145718-A1 COMPOUNDS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 WO disclosed
WO-2019145718-A1 COMPOUNDS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-08-01 WO 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 (2 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-20210009576-A1 COMPOUNDS KRAS, NRAS, HRAS HRAS 3/4885KRAS 1/4885BRD4 731/4885
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.