SCHEMBL29344289

SCHEMBL29344289

Cc1cc2c(cnn2C2CCCCO2)c(Br)c1OC(F)(F)Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ATR Q13535 2/20 0.32
▸ KRAS P01116 1/20 0.32
▸ PDE1A P54750 4/20 0.31
▸ PDE1B Q01064 4/20 0.31
▸ PDE1C Q14123 4/20 0.31
▸ RET P07949 1/20 0.30
▸ YTHDC1 Q96MU7 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
SCHEMBL31527135 0.92 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31527053 0.92 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30959562 0.87 CYP4F2 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31527476 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30959464 0.83 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30959467 0.82 CYP4F2 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20974775 0.82 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31527186 0.81 RXRA (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21195793 0.81 CYP4F2 (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30959367 0.81 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG

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
EP-4709371-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2026-03-18 — — EP disclosed
EP-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 — — EP disclosed
WO-2024233776-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME LLC (US) 2024-11-14 — — WO disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 — — US disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 — — 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS CYP4F2 4690/4885CYP4A11 4627/4885RXRA 3326/4885

“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