SCHEMBL22430183

SCHEMBL22430183

C[C@H](CO)NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2cccnc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 1.00
▸ ABL1 P00519 11/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ CYP11B1 P15538 2/20 0.46
▸ CYP11B2 P19099 2/20 0.46
▸ SUCNR1 Q9BXA5 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ KDR P35968 1/20 0.44
▸ PDE2A O00408 2/20 0.43

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
SCHEMBL21001701 1.00 AHR (1.00) AHRABL1OPRM1KCNH2CYP11B1
SCHEMBL21001702 1.00 AHR (1.00) AHRABL1OPRM1KCNH2CYP11B1
SCHEMBL21001400 0.90 AHR (0.80) AHRSUCNR1ADORA3PDE2A
SCHEMBL21001401 0.90 AHR (0.80) AHRSUCNR1ADORA3PDE2A
SCHEMBL22407182 0.88 AHR (0.79) AHRABL1SUCNR1ADORA3PDE2A
SCHEMBL22407181 0.88 AHR (0.79) AHRABL1SUCNR1ADORA3PDE2A
SCHEMBL21001575 0.88 AHR (0.78) AHRADORA3PDE2A
SCHEMBL21001578 0.88 AHR (0.78) AHRADORA3PDE2A
SCHEMBL21001209 0.86 AHR (0.76) AHRSUCNR1ADORA3PDE2A
SCHEMBL25581080 0.86 AHR (0.76) AHRSUCNR1ADORA3PDE2A

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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