SCHEMBL22407182

SCHEMBL22407182

Cc1ccc(-c2nc(C(=O)NC(C)CO)cc(-c3ccc(OC(F)(F)F)cc3)n2)cn1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.79
▸ ADORA3 P0DMS8 1/20 0.45
▸ ABL1 P00519 8/20 0.45
▸ PDE2A O00408 2/20 0.43
▸ SCN10A Q9Y5Y9 2/20 0.43
▸ SCN9A Q15858 2/20 0.42
▸ SUCNR1 Q9BXA5 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL22407181 1.00 AHR (0.79) AHRADORA3ABL1PDE2ASCN10A
SCHEMBL22407132 0.92 AHR (0.74) AHRADORA3ABL1PDE2ASCN10A
SCHEMBL22407232 0.92 AHR (0.74) AHRADORA3ABL1PDE2ASCN10A
SCHEMBL25581078 0.91 AHR (0.76) AHRADORA3PDE2ASCN10ASCN9A
SCHEMBL25581080 0.91 AHR (0.76) AHRADORA3PDE2ASCN10ASCN9A
SCHEMBL21001400 0.90 AHR (0.80) AHRADORA3PDE2ASCN10ASCN9A
SCHEMBL21001401 0.90 AHR (0.80) AHRADORA3PDE2ASCN10ASCN9A
SCHEMBL22407196 0.89 AHR (0.73) AHRADORA3ABL1PDE2ASCN10A
SCHEMBL22407194 0.89 AHR (0.73) AHRADORA3ABL1PDE2ASCN10A
SCHEMBL22407223 0.88 AHR (0.72) AHRADORA3ABL1PDE2ASCN10A

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 9 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
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

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 1/4885ADORA3 302/4885ABL1 496/4885
US-11304946-B2 2-hetarylpyrimidine-4-carboxamides as aryl hydrocarbon receptor antagonists AHR, ARNT, HRH2 AHR 1/4885ADORA3 272/4885ABL1 665/4885

“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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