SCHEMBL23043301

SCHEMBL23043301

CC(C)c1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 9/20 0.40
▸ LIPG Q9Y5X9 9/20 0.40
▸ ROCK1 Q13464 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ ESR2 Q92731 1/20 0.30
▸ AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL23043819 0.84 LPL (0.36) LPLLIPGCA1CA2CA9
SCHEMBL27033435 0.83 LPL (0.39) LPLLIPGROCK1CA1CA2
SCHEMBL17421129 0.80 LPL (0.42) LPLLIPGROCK1CA1CA2
SCHEMBL14956320 0.79 LPL (0.47) LPLLIPGROCK1CA1CA2
SCHEMBL29016499 0.79 LPL (0.47) LPLLIPGROCK1CA1CA2
SCHEMBL14488670 0.78 LIPG (0.38) LPLLIPGROCK1CA1CA2
SCHEMBL17421109 0.75 LPL (0.38) LPLLIPGROCK1CA1CA2
SCHEMBL6691092 0.75 LPL (0.50) LPLLIPGROCK1CA1CA2
SCHEMBL29016496 0.75 LPL (0.51) LPLLIPGROCK1CA1CA2
SCHEMBL24478014 0.74 LPL (0.40) LPLLIPGCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114615981-B KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2024-04-12 — — CN disclosed
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 — — US disclosed
US-20230279025-A1 KRAS G12D INHIBITORS ARRAY BIOPHARMA INC. 2023-09-07 — — US disclosed
EP-4021444-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2022-07-06 — — EP disclosed
CN-114615981-A KRAS G12D inhibitors 米拉蒂治疗股份有限公司 2022-06-10 — — CN disclosed
WO-2021041671-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-04 — — WO disclosed
WO-2021041671-A1 KRAS G12D INHIBITORS Mirati Therapeutics, Inc. (US) 2021-03-04 — — 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 (1 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-20230279025-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS LPL 4166/4885LIPG 3534/4885ROCK1 75/4885

“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.

Send feedback