SCHEMBL22429616

SCHEMBL22429616

CC(C)(O)CNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2cccnc2)n1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.71
▸ ABL1 P00519 11/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ CYP11B1 P15538 2/20 0.48
▸ CYP11B2 P19099 2/20 0.48
▸ SCN2A Q99250 2/20 0.47
▸ SCN10A Q9Y5Y9 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ CFTR P13569 1/20 0.44

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
SCHEMBL22392156 0.89 ADORA3 (0.57) AHRSCN2ASCN10AADORA3CFTR
SCHEMBL22429411 0.87 AHR (0.54) AHRABL1ADORA3KDR
SCHEMBL25580526 0.86 AHR (0.53) AHRABL1SCN2ASCN10AADORA3
SCHEMBL21001328 0.86 AHR (0.53) AHRABL1SCN2ASCN10AADORA3
SCHEMBL22391987 0.86 AHR (0.53) AHRABL1SCN2ASCN10AADORA3
SCHEMBL22392101 0.85 ADORA3 (0.53) AHRSCN2ASCN10AADORA3CFTR
SCHEMBL21001326 0.85 ADORA3 (0.53) AHRSCN2ASCN10AADORA3CFTR
SCHEMBL21001725 0.85 AHR (0.52) AHRSCN2ASCN10A
SCHEMBL25580216 0.85 AHR (0.69) AHRABL1OPRM1KCNH2CYP11B1
SCHEMBL22430223 0.85 AHR (0.54) AHR

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
EP-3713926-B1 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS BAYER AG (DE) 2023-06-07 — — EP claimed
US-11304946-B2 2-hetarylpyrimidine-4-carboxamides as aryl hydrocarbon receptor antagonists BAYER AKTIENGESELLSCHAFT (DE) 2022-04-19 — — US claimed
US-20200289509-A1 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2020-09-17 — — US claimed
EP-3713926-B1 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS BAYER AG (DE) 2023-06-07 — — EP disclosed
EP-3713926-B1 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS BAYER AG (DE) 2023-06-07 — — EP disclosed
US-11304946-B2 2-hetarylpyrimidine-4-carboxamides as aryl hydrocarbon receptor antagonists BAYER AKTIENGESELLSCHAFT (DE) 2022-04-19 — — US disclosed
US-11304946-B2 2-hetarylpyrimidine-4-carboxamides as aryl hydrocarbon receptor antagonists BAYER AKTIENGESELLSCHAFT (DE) 2022-04-19 — — US disclosed
EP-3713926-A1 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS Bayer Aktiengesellschaft (DE) 2020-09-30 — — EP disclosed
US-20200289509-A1 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2020-09-17 — — US disclosed
US-20200289509-A1 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2020-09-17 — — US disclosed
WO-2019101641-A1 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2019-05-31 — — 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-20200289509-A1 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS AHR, ARNT, HRH2 AHR 1/4885ABL1 496/4885OPRM1 531/4885
US-11304946-B2 2-hetarylpyrimidine-4-carboxamides as aryl hydrocarbon receptor antagonists AHR, ARNT, HRH2 AHR 1/4885ABL1 665/4885OPRM1 873/4885

“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.

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