SCHEMBL23043131

SCHEMBL23043131

FC(F)(F)Oc1ccc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ CYP4F2 P78329 5/20 0.35
▸ CYP4A11 Q02928 5/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.31
▸ ATR Q13535 3/20 0.31
▸ TNF P01375 1/20 0.31
▸ LITAF Q99732 1/20 0.31
▸ PDE10A Q9Y233 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
SCHEMBL25428423 0.93 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL5413171 0.85 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30064825 0.85 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19617703 0.85 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29385672 0.83 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19616735 0.83 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29478977 0.81 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21196032 0.81 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31527053 0.81 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL23043667 0.80 RXRA (0.35) RXRARXRBRXRGCYP4F2CYP4A11

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 RXRA 3257/4885RXRB 2698/4885RXRG 2412/4885

“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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