SCHEMBL9017773

SCHEMBL9017773

COC(=O)C1(C(=O)OC)CC1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 5/20 0.37
TSHR P16473 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL19447708 0.88 MAPT (0.34) NPSR1MAPTTSHRCYP4F2CYP4A11
SCHEMBL371813 0.88 MAPT (0.37) NPSR1MAPTTSHRCYP4F2CYP4A11
SCHEMBL4398594 0.88 MAPT (0.37) NPSR1MAPTTSHRCYP4F2CYP4A11
SCHEMBL16865201 0.87 MAPT (0.35) NPSR1MAPTTSHRCYP4F2CYP4A11
SCHEMBL30706623 0.83 MAPT (0.32) NPSR1MAPT
SCHEMBL13757818 0.80
SCHEMBL3372994 0.80
SCHEMBL16865155 0.78 CYP17A1 (0.46) NPSR1MAPTTSHRALDH1A1KMT2A
SCHEMBL29618225 0.78 MAPT (0.37) NPSR1MAPTTSHRCYP4F2CYP4A11
Hydrochloric Acid SCHEMBL32674344 0.78 GRM6 (0.33) NPSR1TSHRALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-01-15 US disclosed
EP-4540255-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
CN-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 CN disclosed
WO-2023244615-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-21 WO disclosed
EP-3694331-B1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2022-11-16 EP disclosed
US-11174248-B2 Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME CORP. (US) 2021-11-16 US disclosed
US-20210188818-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2021-06-24 US disclosed
EP-3694331-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2020-08-19 EP disclosed
US-10450291-B2 Method for producing fluorine-containing cyclopropane carboxylic acid compound CENTRAL GLASS COMPANY, LIMITED (JP) 2019-10-22 US disclosed
WO-2019074810-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO disclosed
US-20180186763-A1 Method for Producing Fluorine-Containing Cyclopropane Carboxylic Acid Compound CENTRAL GLASS COMPANY, LIMITED (JP) 2018-07-05 US disclosed
US-5510509-A CYCLIZATION DI-LOWER ALKYL MALONATE WITH 1,2-DICHLOROALKANE, POTASSIUM CARBONATE, DEHYDRATION BY AZEOTROPICAL DISTILLATION HULS AKTIENGESELLSCHAFT (DE) 1996-04-23 US 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 (5 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-20180186763-A1 Method for Producing Fluorine-Containing Cyclopropane Carboxylic Acid Compound PFAS, FDPS, FIBP NPSR1 2205/4885MAPT 1926/4885TSHR 1005/4885
US-11174248-B2 Indazolyl-spiro[2.3]hexane-carbonitrile derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, BRSK2, CLK2 NPSR1 4237/4885MAPT 493/4885TSHR 3909/4885
US-10450291-B2 Method for producing fluorine-containing cyclopropane carboxylic acid compound PFAS, FDPS, FIBP NPSR1 2205/4885MAPT 1926/4885TSHR 1005/4885
US-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS NPSR1 4157/4885MAPT 4878/4885TSHR 1916/4885
US-20210188818-A1 INDAZOLYL-SPIRO[2.3]HEXANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, BRSK2, CLK2 NPSR1 4237/4885MAPT 493/4885TSHR 3909/4885

“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.