SCHEMBL20132850

SCHEMBL20132850

Cc1ccc2c(N)n[nH]c2c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
FLT3 P36888 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
JAK2 O60674 5/20 0.38
AURKB Q96GD4 2/20 0.38
MAP4K4 O95819 1/20 0.38
CSF1R P07333 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
LTK P29376 1/20 0.38
KDR P35968 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1A1 P48729 1/20 0.38
LIMK1 P53667 1/20 0.38
CDK5 Q00535 1/20 0.38
ACVR1 Q04771 1/20 0.38
TNK2 Q07912 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
PDPK1 O15530 5/20 0.33

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
SCHEMBL17030765 0.84 ADORA2A (0.35)
SCHEMBL23879990 0.83 CHEK1 (0.37) CHEK1FLT3PLK3JAK2AURKB
SCHEMBL22924129 0.81
SCHEMBL22328040 0.81
SCHEMBL20434719 0.77 CHEK1 (0.46) CHEK1FLT3PLK3JAK2AURKB
SCHEMBL24427711 0.76 CHEK1 (0.44) CHEK1FLT3PLK3JAK2AURKB
SCHEMBL1223481 0.74 CHEK1 (0.47) CHEK1FLT3PLK3JAK2AURKB
SCHEMBL19104285 0.74 PDPK1 (0.42) FLT3JAK2AURKBMAP4K4CSF1R
SCHEMBL21564297 0.74
SCHEMBL20132926 0.71 CHEK1 (0.41) CHEK1FLT3PLK3JAK2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 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-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 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-11274093-B2 Fused bicyclic benzoheteroaromatic compounds and methods of use thereof ARAXES PHARMA LLC (US) 2022-03-15 US disclosed
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS ARAXES PHARMA LLC (US) 2021-12-09 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-11136308-B2 Substituted quinazoline and quinazolinone compounds and methods of use thereof ARAXES PHARMA LLC (US) 2021-10-05 US disclosed
US-20210024501-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC 2021-01-28 US disclosed
US-20200385364-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2020-12-10 US disclosed
US-10745385-B2 Covalent inhibitors of KRAS ARAXES PHARMA LLC (US) 2020-08-18 US disclosed
US-10736897-B2 Compounds and methods of use thereof for treatment of cancer ARAXES PHARMA LLC (US) 2020-08-11 US disclosed
US-10377743-B2 Inhibitors of RAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-08-13 US disclosed
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 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 (14 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-10377743-B2 Inhibitors of RAS and methods of use thereof KRAS, NRAS, HRAS CHEK1 637/4885FLT3 1865/4885PLK3 3942/4885
US-20210024501-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS CHEK1 194/4885FLT3 714/4885PLK3 3133/4885
US-11274093-B2 Fused bicyclic benzoheteroaromatic compounds and methods of use thereof KRAS, NRAS, HRAS CHEK1 723/4885FLT3 1670/4885PLK3 3846/4885
US-10736897-B2 Compounds and methods of use thereof for treatment of cancer KRAS, NRAS, HRAS CHEK1 446/4885FLT3 549/4885PLK3 3020/4885
US-10745385-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS CHEK1 194/4885FLT3 714/4885PLK3 3133/4885
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS KRAS, NRAS, G3BP2 CHEK1 1591/4885FLT3 2986/4885PLK3 4388/4885
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CHEK1 513/4885FLT3 1604/4885PLK3 4079/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 CHEK1 115/4885FLT3 122/4885PLK3 1878/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS CHEK1 222/4885FLT3 232/4885PLK3 1190/4885
US-11136308-B2 Substituted quinazoline and quinazolinone compounds and methods of use thereof KRAS, NRAS, HRAS CHEK1 323/4885FLT3 1402/4885PLK3 1808/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS CHEK1 274/4885FLT3 1883/4885PLK3 2520/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CHEK1 584/4885FLT3 1622/4885PLK3 3899/4885
US-20200385364-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS CHEK1 553/4885FLT3 1569/4885PLK3 4068/4885
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 CHEK1 1677/4885FLT3 1777/4885PLK3 2898/4885

“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.