SCHEMBL25210438

SCHEMBL25210438

OC[C@@]1(COCc2ccccc2)CC1(F)F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
TACR1 P25103 2/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 3/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
GRM5 P41594 2/20 0.37
CHRM3 P20309 5/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
SLC6A2 P23975 1/20 0.37
PDE4A P27815 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRM1 P35372 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL24837580 1.00 TSHR (0.47) TSHRTACR1KDM4EPOLBCA1
SCHEMBL31450118 1.00 TSHR (0.47) TSHRTACR1KDM4EPOLBCA1
SCHEMBL25212600 1.00 TSHR (0.47) TSHRTACR1KDM4EPOLBCA1
SCHEMBL29345920 0.85 TSHR (0.45) TSHRTACR1KDM4EPOLB
SCHEMBL21332833 0.82 TSHR (0.42) TSHRTACR1KDM4EPOLBCA1
SCHEMBL25240765 0.81 TSHR (0.41) TSHRTACR1SLC6A2SLC6A4OPRM1
SCHEMBL31387728 0.81 TSHR (0.41) TSHRTACR1KDM4ESLC6A4
SCHEMBL25240763 0.81 TSHR (0.41) TSHRTACR1SLC6A2SLC6A4OPRM1
SCHEMBL30959565 0.81 TSHR (0.41) TSHRTACR1SLC6A4
SCHEMBL25268260 0.77 CA2 (0.38) TSHRTACR1CA1CA2CA9

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
EP-4746874-A2 SMALL MOLECULE PROTEIN DEGRADERS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2026-05-27 EP disclosed
EP-4747239-A1 SMALL MOLECULE PROTEIN DEGRADERS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2026-05-27 EP disclosed
US-20260083750-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC 2026-03-26 US disclosed
EP-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 EP disclosed
EP-4577214-A2 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-07-02 EP disclosed
WO-2025019823-A1 SMALL MOLECULE PROTEIN DEGRADERS OF KRAS G12D MUTANT MERCK SHARP & DOHME LLC (US) 2025-01-23 WO disclosed
WO-2025019819-A2 SMALL MOLECULE PROTEIN DEGRADERS OF KRAS G12D MUTANT MERCK SHARP & DOHME LLC (US) 2025-01-23 WO disclosed
US-20240417408-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-12-19 US disclosed
EP-4436571-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS Merck Sharp & Dohme LLC (US) 2024-10-02 EP disclosed
US-20240317759-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO LTD (JP) 2024-09-26 US disclosed
WO-2024051763-A1 QUINAZOLINE HETEROCYCLIC DERIVATIVE OF KRAS MUTATION INHIBITOR FOR TREATING CANCER 深圳福沃药业有限公司 2024-03-14 WO disclosed
CN-117659050-A Quinazoline heterocyclic derivatives as KRAS mutation inhibitors for the treatment of cancer 深圳福沃药业有限公司 2024-03-08 CN disclosed
WO-2024044667-A2 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-02-29 WO disclosed
WO-2024044667-A2 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-02-29 WO disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
WO-2023097227-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS MERCK SHARP & DOHME LLC (US) 2023-06-01 WO disclosed
WO-2022250170-A9 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-01-05 WO disclosed
WO-2022251576-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-12-01 WO disclosed
WO-2022250170-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-12-01 WO disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 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 (3 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-20240317759-A1 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS KRAS, NRAS, HRAS TSHR 4500/4885TACR1 4021/4885KDM4E 3080/4885
US-20240417408-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT KRAS, NRAS, HRAS TSHR 4589/4885TACR1 4196/4885KDM4E 3014/4885
US-20260083750-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS KRAS, NRAS, RASGRP1 TSHR 4374/4885TACR1 4185/4885KDM4E 2420/4885

“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.