SCHEMBL17030880

SCHEMBL17030880

CC(C)(C)C(=O)/C=C/CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.50
GABRR2 P28476 2/20 0.50
BLM P54132 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GABRR3 A8MPY1 1/20 0.50
APEX1 P27695 1/20 0.50
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 0.32
NPC1 O15118 3/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL23178982 0.81 GABRR1 (0.31) GABRR1GABRR2BLMTSHRLMNA
SCHEMBL13712712 0.77 ALDH1A1 (0.34) LMNANPSR1TDP1ALDH1A1MAPT
SCHEMBL22063483 0.75 TDP1 (0.33) LMNANPSR1TDP1ALDH1A1MAPT
SCHEMBL14122248 0.75 GABRR1 (0.50) GABRR1GABRR2BLMTSHRLMNA
SCHEMBL22063482 0.75 ALDH1A1 (0.32) LMNANPSR1TDP1ALDH1A1MAPT
SCHEMBL8464139 0.74 ALDH1A1 (0.39) TSHRLMNANPSR1TDP1ALDH1A1
SCHEMBL25631064 0.74 ALDH1A1 (0.39) TSHRLMNANPSR1TDP1ALDH1A1
SCHEMBL8464142 0.74 ALDH1A1 (0.39) TSHRLMNANPSR1TDP1ALDH1A1
SCHEMBL16117663 0.73 CA1 (0.48) LMNANPSR1TDP1ALDH1A1MAPT
SCHEMBL16722808 0.73 ALDH1A1 (0.31) LMNANPSR1TDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 US disclosed
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 US disclosed
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-07-06 US disclosed
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 US disclosed
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 US disclosed
US-11377441-B2 Covalent inhibitors of KRAS ARAXES PHARMA LLC (US) 2022-07-05 US disclosed
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer ARAXES PHARMA LLC (US) 2022-03-22 US disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 US disclosed
US-11059819-B2 Fused hetero-hetero bicyclic compounds and methods of use thereof JANSSEN BIOTECH, INC. (US) 2021-07-13 US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-20180194748-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-07-12 US disclosed
US-20180194748-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-07-12 US disclosed
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 US disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 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 (15 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-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS GABRR1 1921/4885GABRR2 2691/4885BLM 1437/4885
US-11377441-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS GABRR1 2921/4885GABRR2 3674/4885BLM 2284/4885
US-20180194748-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS GABRR1 2125/4885GABRR2 2813/4885BLM 1046/4885
US-11059819-B2 Fused hetero-hetero bicyclic compounds and methods of use thereof KRAS, NRAS, HRAS GABRR1 564/4885GABRR2 788/4885BLM 665/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS GABRR1 2692/4885GABRR2 3324/4885BLM 1169/4885
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS GABRR1 1580/4885GABRR2 2464/4885BLM 473/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS GABRR1 1921/4885GABRR2 2691/4885BLM 1437/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS GABRR1 2885/4885GABRR2 3608/4885BLM 1163/4885
US-20230212170-A1 INHIBITORS OF KRAS G12C PROTEIN AND USES THEREOF KRAS, NRAS, HRAS GABRR1 2062/4885GABRR2 2247/4885BLM 1140/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS GABRR1 3030/4885GABRR2 3692/4885BLM 1643/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS GABRR1 493/4885GABRR2 711/4885BLM 471/4885
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS GABRR1 1227/4885GABRR2 1244/4885BLM 453/4885
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer KRAS, NRAS, HRAS GABRR1 396/4885GABRR2 682/4885BLM 3890/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS GABRR1 3639/4885GABRR2 3804/4885BLM 499/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS GABRR1 2885/4885GABRR2 3331/4885BLM 871/4885

“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.