SCHEMBL21207183

SCHEMBL21207183

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.69
KRAS P01116 1/20 0.69
HPGDS O60760 1/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
PDCD1 Q15116 5/20 0.38
CD274 Q9NZQ7 5/20 0.38
ATM Q13315 1/20 0.37
CSNK2A1 P68400 2/20 0.37
CHEK2 O96017 1/20 0.37
JAK2 O60674 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
AURKA O14965 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
SCHEMBL21198059 0.92 HRAS (0.69) HRASKRASPDCD1CD274CHEK2
SCHEMBL21198764 0.90 HRAS (0.61) HRASKRASAKR1C3AKR1C2STIM1
SCHEMBL30913763 0.90 HRAS (0.61) HRASKRASAKR1C3AKR1C2STIM1
SCHEMBL21198782 0.88 HRAS (0.74) HRASKRASPDCD1CD274KDM4E
SCHEMBL30913802 0.88 HRAS (0.74) HRASKRASPDCD1CD274KDM4E
SCHEMBL21207076 0.86 HRAS (0.71) HRASKRASPDCD1CD274
SCHEMBL30222612 0.86 HRAS (0.74) HRASKRASPDCD1CD274
SCHEMBL21207083 0.86 HRAS (0.74) HRASKRASPDCD1CD274
SCHEMBL21198599 0.85 HRAS (0.79) HRASKRASPDCD1CD274
SCHEMBL21207061 0.84 HRAS (0.58) HRASKRASAKR1C3AKR1C2PDCD1

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 4 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-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 1/4885HPGDS 595/4885
US-12024506-B2 Compounds KRAS, NRAS, HRAS HRAS 3/4885KRAS 1/4885HPGDS 595/4885

“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.