SCHEMBL21567684

SCHEMBL21567684

CC(C)(C)OC(=O)Nc1ncccc1C1(C#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 13/20 0.42
▸ METAP1 P53582 1/20 0.42
▸ RET P07949 1/20 0.38
▸ MAP3K20 Q9NYL2 1/20 0.38
▸ RIPK3 Q9Y572 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ ATR Q13535 1/20 0.36
▸ PLCG1 P19174 1/20 0.36

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
SCHEMBL30154943 1.00 BDKRB1 (0.42) BDKRB1METAP1RETMAP3K20RIPK3
SCHEMBL21543140 0.81 BDKRB1 (0.44) BDKRB1RETMAP3K20RIPK3KDR
SCHEMBL31565018 0.77 HPGD (0.44) METAP1NAMPTATRPLCG1
SCHEMBL5465531 0.77 HPGD (0.44) METAP1NAMPTATRPLCG1
SCHEMBL25261217 0.74 GSK3B (0.42) NAMPTATR
SCHEMBL27145661 0.74 IDH1 (0.41) ATR
SCHEMBL29919656 0.74 RAB9A (0.54) METAP1
SCHEMBL15266282 0.74 METAP1 (0.56) METAP1NAMPTATR
SCHEMBL68279 0.74 RAB9A (0.54) METAP1
SCHEMBL27967000 0.74 RAB9A (0.49) METAP1NAMPTATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 — — US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 — — 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 (4 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 BDKRB1 4372/4885METAP1 2115/4885RET 129/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS BDKRB1 4372/4885METAP1 2115/4885RET 129/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS BDKRB1 4372/4885METAP1 2115/4885RET 129/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS BDKRB1 4372/4885METAP1 2115/4885RET 129/4885

“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.

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