SCHEMBL29414003

SCHEMBL29414003

CC1(C)OB(c2cc(O)cc3ccccc23)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.46
LPL P06858 3/20 0.42
LIPG Q9Y5X9 3/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MPI P34949 1/20 0.41
KMT2A Q03164 1/20 0.41
CDC25B P30305 3/20 0.36
TRPM4 Q8TD43 1/20 0.35
CYP1A2 P05177 2/20 0.33
JAK2 O60674 1/20 0.32
BTK Q06187 1/20 0.32
P4HB P07237 1/20 0.31
ANPEP P15144 1/20 0.31
LAP3 P28838 1/20 0.31
APP P05067 1/20 0.31
CYP2A6 P11509 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
SCHEMBL21459066 1.00 NQO2 (0.46) NQO2LPLLIPGKDM4EMEN1
SCHEMBL29964335 0.94 NQO2 (0.41) NQO2LPLLIPGKDM4EMEN1
SCHEMBL24680593 0.84 NQO2 (0.38) NQO2LPLLIPGKDM4EMEN1
SCHEMBL23569435 0.83 ESR1 (0.39) NQO2LPLLIPGCYP1A2JAK2
SCHEMBL29478942 0.83 ESR1 (0.39) NQO2LPLLIPGCYP1A2JAK2
SCHEMBL20017911 0.82 CYP1A2 (0.47) LPLLIPGKDM4EMEN1ALDH1A1
SCHEMBL22555118 0.82 LPL (0.43) LPLLIPGKDM4EALDH1A1MAPT
SCHEMBL30065204 0.82 LPL (0.43) LPLLIPGKDM4EALDH1A1MAPT
SCHEMBL734336 0.81 LPL (0.45) LPLLIPGALDH1A1MAPTHPGD
SCHEMBL23569463 0.81 LPL (0.34) LPLLIPGKDM4EALDH1A1HPGD

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612155-A1 1,5-NAPHTHYRIDINE DERIVATIVES AS KRAS ONCOPROTEIN INHIBITORS Beta Pharma, Inc. (US) 2025-09-10 EP disclosed
US-20250179077-A1 QUINAZOLINE COMPOUNDS AND USES THEREOF AS INHIBITORS OF MUTANT KRAS PROTEINS AMGEN INC. (US) 2025-06-05 US disclosed
CN-119954832-A KRAS small molecule fluorescent probe and preparation method and application thereof 中国药科大学 2025-05-09 CN disclosed
EP-4540255-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
US-20250122222-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-04-17 US disclosed
EP-4415824-A1 QUINOLINE COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2024-08-21 EP disclosed
EP-4405337-A1 FUSED PYRIMIDINE DERIVATIVES AS KRAS ONCOPROTEIN INHIBITORS Beta Pharma, Inc. (US) 2024-07-31 EP disclosed
WO-2024097559-A1 1,5-NAPHTHYRIDINE DERIVATIVES AS KRAS ONCOPROTEIN INHIBITORS BETA PHARMA, INC. (US) 2024-05-10 WO disclosed
EP-4363412-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Dana-Farber Cancer Institute, Inc. (US) 2024-05-08 EP disclosed
WO-2024083168-A1 OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-04-25 WO disclosed
WO-2022192794-A1 KRAS G12D INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 WO disclosed
CN-115003677-A Compounds having inhibitory activity against KRAS G12D mutation 大鹏药品工业株式会社 2022-09-02 CN disclosed
CN-114828964-A KRAS G12C inhibitors 伊莱利利公司 2022-07-29 CN disclosed
WO-2022098625-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-05-12 WO disclosed
CN-112805281-B KRAS G12C inhibitors 伊莱利利公司 2022-05-10 CN disclosed
WO-2022083569-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2022-04-28 WO disclosed
WO-2022068921-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-04-07 WO disclosed
WO-2022047093-A1 VINYL IMIDAZOLE COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2022-03-03 WO disclosed
WO-2022042630-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2022-03-03 WO disclosed
WO-2022031678-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-02-10 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-20250179077-A1 QUINAZOLINE COMPOUNDS AND USES THEREOF AS INHIBITORS OF MUTANT KRAS PROTEINS KRAS, NRAS, HRAS NQO2 56/4885LPL 4612/4885LIPG 3779/4885
US-20250122222-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS NQO2 178/4885LPL 4702/4885LIPG 3251/4885

“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.