SCHEMBL30154643

SCHEMBL30154643

Cc1cccc(C(C)(C)C)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.56
GABRB2 P47870 1/20 0.56
CD44 P16070 1/20 0.52
CA2 P00918 3/20 0.46
ALDH1A1 P00352 4/20 0.39
POLB P06746 3/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
TRPA1 O75762 1/20 0.36
ATM Q13315 1/20 0.36
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PIK3CA P42336 1/20 0.35
TYR P14679 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1804107 1.00 GABRA1 (0.56) GABRA1GABRB2CD44CA2ALDH1A1
SCHEMBL138254 0.85 CA2 (0.55) GABRA1GABRB2CD44CA2ALDH1A1
SCHEMBL8223624 0.84 CD44 (0.50) GABRA1GABRB2CD44CA2ALDH1A1
SCHEMBL23591999 0.82 CD44 (0.48) GABRA1GABRB2CD44CA2ALDH1A1
SCHEMBL3072904 0.82 CD44 (0.48) GABRA1GABRB2CD44CA2ALDH1A1
SCHEMBL25785501 0.82 CD44 (0.48) GABRA1GABRB2CD44CA2ALDH1A1
SCHEMBL14877302 0.80 GABRA1 (0.60) GABRA1GABRB2CD44CA2ALDH1A1
SCHEMBL9690395 0.79 CD44 (0.50) GABRA1GABRB2CD44CA2ALDH1A1
SCHEMBL29512913 0.79 CD44 (0.50) GABRA1GABRB2CD44ALDH1A1POLB
SCHEMBL28827938 0.79 CD44 (0.50) GABRA1GABRB2CD44CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 US disclosed
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 US disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 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-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4420/4885GABRB2 4475/4885CD44 3978/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS GABRA1 4420/4885GABRB2 4475/4885CD44 3978/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4420/4885GABRB2 4475/4885CD44 3978/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4420/4885GABRB2 4475/4885CD44 3978/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS GABRA1 4420/4885GABRB2 4475/4885CD44 3978/4885

“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.