SCHEMBL19786433

SCHEMBL19786433

Cc1ccc2[nH]nc(O)c2c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
MAP2K4 P45985 3/20 0.40
MAPK6 Q16659 3/20 0.40
MAPKAPK2 P49137 2/20 0.40
MAPKAPK3 Q16644 2/20 0.34
MAPKAPK5 Q8IW41 1/20 0.34
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 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
SCHEMBL21982541 0.84 MAPK1 (0.33) MAPK1MAP2K4MAPK6MAPKAPK2
SCHEMBL17833922 0.82 MAPK1 (0.35) MAPK1MAP2K4MAPK6MAPKAPK2
SCHEMBL19104228 0.79 MAPK1 (0.33) MAPK1MAP2K4MAPK6MAPKAPK2
SCHEMBL22328050 0.79 MAPK1 (0.33) MAPK1MAP2K4MAPK6MAPKAPK2
SCHEMBL17030758 0.79 MAPK1 (0.33) MAPK1MAP2K4MAPK6MAPKAPK2
SCHEMBL19104285 0.79 PDPK1 (0.42)
SCHEMBL19104288 0.79 MAP2K4 (0.35) MAPK1MAP2K4MAPK6MAPKAPK2MAPKAPK3
SCHEMBL25667658 0.78 MAPK1 (0.40) MAPK1MAP2K4MAPK6MAPKAPK2MAPKAPK3
SCHEMBL19104232 0.78 MAPK1 (0.33) MAPK1MAP2K4MAPK6MAPKAPK2MAPKAPK3
SCHEMBL22328045 0.77 ADRA2A (0.35) MAPK1MAP2K4MAPK6MAPKAPK2

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 10 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-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 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-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-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-10646488-B2 Conjugates of cereblon binding compounds and G12C mutant KRAS, HRAS or NRAS protein modulating compounds and methods of use thereof ARAXES PHARMA LLC (US) 2020-05-12 US disclosed
US-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-01-18 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 (8 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-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPK1 898/4885MAP2K4 1832/4885MAPK6 1209/4885
US-10646488-B2 Conjugates of cereblon binding compounds and G12C mutant KRAS, HRAS or NRAS protein modulating compounds and methods of use thereof KRAS, NRAS, HRAS MAPK1 898/4885MAP2K4 1832/4885MAPK6 1209/4885
US-10736897-B2 Compounds and methods of use thereof for treatment of cancer KRAS, NRAS, HRAS MAPK1 473/4885MAP2K4 675/4885MAPK6 2436/4885
US-10745385-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS MAPK1 146/4885MAP2K4 340/4885MAPK6 945/4885
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 MAPK1 100/4885MAP2K4 1046/4885MAPK6 122/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 MAPK1 577/4885MAP2K4 812/4885MAPK6 1224/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS MAPK1 84/4885MAP2K4 165/4885MAPK6 789/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS MAPK1 641/4885MAP2K4 369/4885MAPK6 2243/4885

“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.