SCHEMBL19909714

SCHEMBL19909714

C=CC(=O)N1CCN(C)C(C)C1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.42
JAK3 P52333 12/20 0.38
BTK Q06187 5/20 0.36

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
SCHEMBL22970007 1.00 CHRM1 (0.42) CHRM1JAK3BTK
SCHEMBL22704583 1.00 CHRM1 (0.42) CHRM1JAK3BTK
SCHEMBL25976504 0.83 TEAD1 (0.38) JAK3BTK
SCHEMBL20334409 0.81 JAK3 (0.33) JAK3BTK
SCHEMBL21186659 0.81 CHRM1 (0.36) CHRM1
SCHEMBL25976400 0.80 JAK3 (0.38) CHRM1JAK3BTK
SCHEMBL23664821 0.79 JAK3 (0.34) JAK3BTK
SCHEMBL21186658 0.79 JAK3 (0.34) JAK3BTK
SCHEMBL22970055 0.79 JAK3 (0.34) JAK3BTK
SCHEMBL23735765 0.79 TET3 (0.34) JAK3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-05-23 US disclosed
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-05-23 US disclosed
US-11453667-B2 Pyridone-pyrimidine derivative acting as KRASG12C mutein inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-09-27 US disclosed
WO-2022111521-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州多域生物技术有限公司 2022-06-02 WO disclosed
US-20210371411-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2021-12-02 US disclosed
EP-3842433-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR Medshine Discovery Inc. (CN) 2021-06-30 EP disclosed
US-20210147418-A1 Pyridone-Pyrimidine Derivative Acting As KRASG12C Mutein Inhibitor MEDSHINE DISCOVERY INC (CN) 2021-05-20 US disclosed
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 US disclosed
US-10519146-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2019-12-31 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
EP-2970163-B1 5-THIAZOLECARBOXAMIDE DERVATIVES AND THEIR USE AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-02-28 EP 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 (7 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-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CHRM1 4864/4885JAK3 3209/4885BTK 3723/4885
US-11453667-B2 Pyridone-pyrimidine derivative acting as KRASG12C mutein inhibitor KRAS, NRAS, MSH2 CHRM1 4719/4885JAK3 499/4885BTK 2069/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CHRM1 4864/4885JAK3 3209/4885BTK 3723/4885
US-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor KRAS, NRAS, MSH2 CHRM1 4653/4885JAK3 885/4885BTK 2256/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CHRM1 4864/4885JAK3 3209/4885BTK 3723/4885
US-20210147418-A1 Pyridone-Pyrimidine Derivative Acting As KRASG12C Mutein Inhibitor KRAS, NRAS, MSH2 CHRM1 4719/4885JAK3 499/4885BTK 2069/4885
US-20210371411-A1 PYRIDONE-PYRIMIDINE DERIVATIVE ACTING AS KRASG12C MUTEIN INHIBITOR KRAS, NRAS, MSH2 CHRM1 4719/4885JAK3 499/4885BTK 2069/4885

“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.