SCHEMBL21733403

SCHEMBL21733403

COC[C@@H]1C[C@@H](F)CN1C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.36
CASP7 P55210 4/20 0.36
NOS1 P29475 1/20 0.31
PDK1 Q15118 2/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 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
SCHEMBL10273862 1.00 CASP3 (0.36) CASP3CASP7NOS1PDK1PDK2
SCHEMBL23957329 1.00 CASP3 (0.36) CASP3CASP7NOS1PDK1PDK2
SCHEMBL21733378 1.00 CASP3 (0.36) CASP3CASP7NOS1PDK1PDK2
SCHEMBL24176145 1.00 CASP3 (0.36) CASP3CASP7NOS1PDK1PDK2
SCHEMBL18461688 0.85 ALOX5 (0.33)
SCHEMBL23158043 0.82 NOS1 (0.30) NOS1
SCHEMBL23158046 0.82 NOS1 (0.30) NOS1
SCHEMBL22062833 0.80
SCHEMBL24854605 0.80 PDK1 (0.33) PDK1
SCHEMBL22062975 0.79 ALDH1A1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
EP-4389751-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kumquat Biosciences Inc. (US) 2024-06-26 EP disclosed
WO-2023215802-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
WO-2023141300-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-07-27 WO disclosed
US-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE SHANGHAI RINGENE THERAPEUTICS CO. LTD (CN) 2023-06-08 US disclosed
WO-2023086383-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF 1200 PHARMA LLC (US) 2023-05-19 WO disclosed
EP-4144732-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE Shanghai Ringene BioPharma Co., Ltd. (CN) 2023-03-08 EP disclosed
WO-2023004102-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-01-26 WO disclosed
WO-2023274383-A1 KRAS G12D INHIBITOR AND USE THEREOF 上海迪诺医药科技有限公司 2023-01-05 WO disclosed
WO-2022266015-A1 FUSED HETEROARYL COMPOUNDS USEFUL AS ANTICANCER AGENTS KUMQUAT BIOSCIENCES INC. (US) 2022-12-22 WO disclosed
WO-2022193871-A1 PREPARATION AND USE OF KRASG12D MUTANT PROTEIN INHIBITOR 药雅科技(上海)有限公司 2022-09-22 WO disclosed
WO-2022148422-A1 BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF BEIGENE, LTD. (KY) 2022-07-14 WO disclosed
WO-2022047260-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-03-03 WO disclosed
WO-2021218110-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE 上海凌达生物医药有限公司 2021-11-04 WO disclosed
WO-2021063346-A1 KRAS G12C INHIBITOR AND APPLICATION THEREOF 上海迪诺医药科技有限公司 2021-04-08 WO disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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 (2 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-20230174526-A1 BENZOTHIAZOLYL BIARYL COMPOUND, AND PREPARATION METHOD AND USE KRAS, NRAS, HRAS CASP3 1262/4885CASP7 1636/4885NOS1 4667/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS CASP3 3507/4885CASP7 3819/4885NOS1 4548/4885

“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.