SCHEMBL21794792

SCHEMBL21794792

C=CC(=O)N1CCN[C@H](C)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.42
HRH4 Q9H3N8 1/20 0.40
JAK3 P52333 8/20 0.36
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
BTK Q06187 6/20 0.34
JAK1 P23458 2/20 0.34
JAK2 O60674 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
REN P00797 1/20 0.33
KRAS P01116 1/20 0.33

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
SCHEMBL20315135 1.00 BIRC2 (0.42) BIRC2HRH4JAK3TP53MDM2
SCHEMBL21543186 1.00 BIRC2 (0.42) BIRC2HRH4JAK3TP53MDM2
Trifluoroacetic Acid SCHEMBL20296401 0.89 BIRC2 (0.36) BIRC2HRH4JAK3BTK
Trifluoroacetic Acid SCHEMBL20296403 0.89 BIRC2 (0.36) BIRC2HRH4JAK3BTK
SCHEMBL24504943 0.81 REN (0.37) JAK3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL22972524 0.81 REN (0.37) JAK3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL24474102 0.80 BIRC2 (0.41) BIRC2HRH4JAK3TP53MDM2
SCHEMBL26774293 0.79 BIRC2 (0.37) BIRC2HRH4TP53MDM2
SCHEMBL30586695 0.79 MAPT (0.44)
SCHEMBL17582672 0.79 KRAS (0.32) JAK3BTKJAK1KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182470-A1 KRASG12C MUTANT PROTEIN INHIBITOR, PREARATION AND USE THEREOF YA THERAPEUTICS INC (CN) 2024-06-06 US disclosed
CN-115490689-B Irreversible KRAS G12C Preparation and application of inhibitor 药雅科技(上海)有限公司 2024-04-09 CN disclosed
CN-115160309-B KRAS G12C Preparation and application of mutant protein heterocyclic inhibitor 药雅科技(上海)有限公司 2024-04-09 CN disclosed
CN-115304603-B Preparation and application of quinazoline inhibitor 药雅科技(上海)有限公司 2024-04-09 CN disclosed
EP-3842433-B1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC (CN) 2023-11-01 EP disclosed
CN-115490689-A Irreversible KRAS G12C Preparation of inhibitors and uses thereof 药雅科技(上海)有限公司 2022-12-20 CN disclosed
CN-115304603-A Preparation and application of quinazoline inhibitor 药雅科技(上海)有限公司 2022-11-08 CN disclosed
CN-115160309-A KRAS G12C Preparation and application of mutant protein heterocyclic inhibitor 药雅科技(上海)有限公司 2022-10-11 CN disclosed
WO-2022193982-A1 PREPARATION AND USE OF KRASG12C MUTEIN INHIBITOR 药雅科技(上海)有限公司 2022-09-22 WO disclosed
CN-115073450-A KRAS G12C Preparation and application of mutant protein inhibitor 药雅科技(上海)有限公司 2022-09-20 CN disclosed
CN-115073451-A KRAS G12D Preparation and application of mutant protein inhibitor 药雅科技(上海)有限公司 2022-09-20 CN disclosed
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
EP-3842433-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR Medshine Discovery Inc. (CN) 2021-06-30 EP disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US 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-20240182470-A1 KRASG12C MUTANT PROTEIN INHIBITOR, PREARATION AND USE THEREOF KRAS, NRAS, HRAS BIRC2 712/4885HRH4 4062/4885JAK3 1218/4885
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS BIRC2 145/4885HRH4 2663/4885JAK3 3267/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS BIRC2 414/4885HRH4 3402/4885JAK3 3508/4885

“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.