SCHEMBL22392129

SCHEMBL22392129

O=C(NCC(O)C(F)(F)F)c1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2cccc(F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.51
▸ SUCNR1 Q9BXA5 1/20 0.44
▸ CFTR P13569 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ SCN10A Q9Y5Y9 4/20 0.41
▸ CETP P11597 1/20 0.41
▸ SCN2A Q99250 3/20 0.41
▸ SCN9A Q15858 5/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ ABL1 P00519 2/20 0.39
▸ BCR P11274 1/20 0.39
▸ OPRM1 P35372 1/20 0.39

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
SCHEMBL22392128 1.00 AHR (0.51) AHRSUCNR1CFTRADORA3SCN10A
SCHEMBL22430121 0.86 AHR (0.69) AHRSUCNR1CFTRADORA3SCN10A
SCHEMBL25580216 0.86 AHR (0.69) AHRSUCNR1CFTRADORA3SCN10A
SCHEMBL21001328 0.85 AHR (0.53) AHRSUCNR1CFTRADORA3SCN10A
SCHEMBL21001686 0.84 AHR (0.50) AHRSUCNR1CFTRADORA3SCN10A
SCHEMBL21001687 0.84 AHR (0.50) AHRSUCNR1CFTRADORA3SCN10A
SCHEMBL21011977 0.84 AHR (0.61) AHRSUCNR1ADORA3SCN10ASCN2A
SCHEMBL21011978 0.84 AHR (0.61) AHRSUCNR1ADORA3SCN10ASCN2A
SCHEMBL22391740 0.84 AHR (0.56) AHRSUCNR1ADORA3SCN10ASCN2A
SCHEMBL22391906 0.83 AHR (0.57) AHRSUCNR1ADORA3SCN10ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524944-B2 2-phenylpyrimidine-4-carboxamides as AHR inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-12-13 — — US claimed
EP-3713923-B1 2-PHENYLPYRIMIDINE-4-CARBOXAMIDES AS AHR INHIBITORS BAYER AG (DE) 2021-12-01 — — EP claimed
US-20200283395-A1 2-PHENYLPYRIMIDINE-4-CARBOXAMIDES AS AHR INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-09-10 — — US claimed
US-11524944-B2 2-phenylpyrimidine-4-carboxamides as AHR inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-12-13 — — US disclosed
US-11524944-B2 2-phenylpyrimidine-4-carboxamides as AHR inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2022-12-13 — — US disclosed
EP-3713923-B1 2-PHENYLPYRIMIDINE-4-CARBOXAMIDES AS AHR INHIBITORS BAYER AG (DE) 2021-12-01 — — EP disclosed
US-20200283395-A1 2-PHENYLPYRIMIDINE-4-CARBOXAMIDES AS AHR INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-09-10 — — US disclosed
US-20200283395-A1 2-PHENYLPYRIMIDINE-4-CARBOXAMIDES AS AHR INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-09-10 — — 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-20200283395-A1 2-PHENYLPYRIMIDINE-4-CARBOXAMIDES AS AHR INHIBITORS AHR, ARNT, IDO1 AHR 1/4885SUCNR1 1165/4885CFTR 748/4885
US-11524944-B2 2-phenylpyrimidine-4-carboxamides as AHR inhibitors AHR, ARNT, IDO1 AHR 1/4885SUCNR1 1165/4885CFTR 748/4885

“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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