SCHEMBL21207018

SCHEMBL21207018

COc1nc(-c2cccc3c2OCCO3)ccc1Nc1ccc(CNCc2cnn(C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.58
KRAS P01116 1/20 0.58
CD274 Q9NZQ7 11/20 0.39
PDCD1LG2 Q9BQ51 3/20 0.39
PDCD1 Q15116 8/20 0.36
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
CNR1 P21554 3/20 0.31
NAMPT P43490 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
ALK Q9UM73 1/20 0.31
SCD O00767 1/20 0.31

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
SCHEMBL30222551 1.00 HRAS (0.58) HRASKRASCD274PDCD1LG2PDCD1
SCHEMBL21198035 0.93 HRAS (0.51) HRASKRASCD274PDCD1LG2PDCD1
SCHEMBL21202174 0.88 HRAS (0.49) HRASKRASCD274PDCD1LG2PDCD1
SCHEMBL21207202 0.85 HRAS (0.50) HRASKRASCD274PDCD1LG2JAK3
SCHEMBL30222583 0.85 HRAS (0.50) HRASKRASCD274PDCD1LG2JAK3
SCHEMBL30222588 0.84 HRAS (0.59) HRASKRASCD274PDCD1NAMPT
SCHEMBL21206993 0.84 HRAS (0.59) HRASKRASCD274PDCD1NAMPT
SCHEMBL21207104 0.84 HRAS (0.66) HRASKRASCD274PDCD1LG2PDCD1
SCHEMBL30913765 0.84 HRAS (0.66) HRASKRASCD274PDCD1LG2PDCD1
SCHEMBL29066259 0.84 HRAS (0.62) HRASKRASCD274PDCD1LG2PDCD1

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 3 patents. 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
US-20210009576-A1 COMPOUNDS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-01-14 US 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 1/4885CD274 3721/4885
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.