SCHEMBL21206993

SCHEMBL21206993

COc1nc(-c2cccc3c2OCCO3)ccc1Nc1ccc(CNCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.59
KRAS P01116 1/20 0.59
TGFBR1 P36897 6/20 0.39
GPR119 Q8TDV5 2/20 0.39
NAMPT P43490 1/20 0.39
JAK2 O60674 4/20 0.38
JAK3 P52333 4/20 0.38
PTK2 Q05397 4/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
ALK Q9UM73 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL30222588 1.00 HRAS (0.59) HRASKRASTGFBR1GPR119NAMPT
SCHEMBL21207048 0.90 HRAS (0.54) HRASKRASTGFBR1GPR119JAK2
SCHEMBL30913743 0.90 HRAS (0.54) HRASKRASTGFBR1GPR119JAK2
SCHEMBL21207089 0.88 HRAS (0.64) HRASKRASPDCD1CD274
SCHEMBL21198639 0.86 HRAS (0.54) HRASKRASJAK2JAK3PTK2
SCHEMBL22886993 0.86 HRAS (0.54) HRASKRASJAK2JAK3PTK2
SCHEMBL21198638 0.86 HRAS (0.54) HRASKRASJAK2JAK3PTK2
SCHEMBL30913745 0.86 HRAS (0.54) HRASKRASJAK2JAK3PTK2
SCHEMBL21207172 0.86 HRAS (0.49) HRASKRASTGFBR1GPR119KDM4E
SCHEMBL30222600 0.86 HRAS (0.49) HRASKRASTGFBR1GPR119KDM4E

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 1/4885TGFBR1 4640/4885
US-12024506-B2 Compounds KRAS, NRAS, HRAS HRAS 3/4885KRAS 1/4885TGFBR1 4640/4885

“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.