SCHEMBL21543376

SCHEMBL21543376

Cc1cc(CO)cc(C(C)C)c1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GSR P00390 1/20 0.35
THRB P10828 5/20 0.34
THRA P10827 3/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DHFR P00374 1/20 0.33
SHBG P04278 1/20 0.32
LMNA P02545 1/20 0.32
ACHE P22303 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
SCHEMBL31745236 1.00 GABRA1 (0.35) GABRA1GABRG2GABRB3GSRTHRB
SCHEMBL6278377 0.88 GABRA1 (0.40) GABRA1GABRG2GABRB3GSRTHRB
SCHEMBL29893261 0.84 DHFR (0.37) THRBTHRAPOLBGAAGFER
SCHEMBL15488 0.84 DHFR (0.37) THRBTHRAPOLBGAAGFER
SCHEMBL26330173 0.82 ALDH1A1 (0.34) GSRTHRBTHRAPOLBGAA
SCHEMBL3870609 0.82 DHFR (0.36) THRBTHRAPOLBGAAGFER
SCHEMBL5610638 0.81 ALDH1A1 (0.50) POLBALDH1A1TP53CYP3A4TSHR
SCHEMBL2941908 0.78 ALDH1A1 (0.39) THRBTHRAPOLBGAAGFER
SCHEMBL7910251 0.78 GSR (0.48) GABRA1GABRG2GABRB3GSRTHRB
SCHEMBL23341814 0.78 GSR (0.58) GSRTHRBTHRAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 US disclosed
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors AMGEN INC. (US) 2024-09-10 US disclosed
EP-3790886-B1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2024-06-26 EP disclosed
EP-3790886-B1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2024-06-26 EP 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
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-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-10988485-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-04-27 US disclosed
US-10988485-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-04-27 US disclosed
EP-3807276-A2 KRAS G12C INHIBITORS ENCOMPASSING A PIPERAZINE RING AND USE THEREOF IN THE TREATMENT OF CANCER Amgen Inc. (US) 2021-04-21 EP disclosed
EP-3790886-A1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2021-03-17 EP disclosed
EP-3788038-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME Amgen Inc. (US) 2021-03-10 EP disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
WO-2019217691-A1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2019-11-14 WO 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 (7 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-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885
US-12083121-B2 Substituted piperazines as KRAS G12C inhibitors KRAS, NRAS, HRAS GABRA1 3776/4885GABRG2 1916/4885GABRB3 4267/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885
US-10988485-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS GABRA1 4420/4885GABRG2 2943/4885GABRB3 4532/4885

“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.