Sugi Predict

Sugi Predict / Compounds / SCHEMBL3408569

SCHEMBL3408569

SCHEMBL3408569

O=C(O)c1cc(-c2ccc(Cl)cc2)nc(Cl)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 4/20 0.71
▸ MCL1 Q07820 3/20 0.61
▸ CTRC Q99895 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ PTGES O14684 1/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ ALPL P05186 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ DHODH Q02127 2/20 0.48
▸ RPA1 P27694 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45

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
Potassium SCHEMBL29961618 0.98 KMO (0.69) KMOMCL1CTRCALDH1A1HPGD
SCHEMBL29020155 0.98 KMO (0.69) KMOMCL1CTRCALDH1A1HPGD
SCHEMBL29062398 0.87 KMO (0.68) KMOMCL1ALDH1A1HPGDCA12
SCHEMBL21001267 0.86 MCL1 (0.61) KMOMCL1CTRCALDH1A1HPGD
SCHEMBL34470953 0.85 MCL1 (0.60) KMOMCL1CTRCALDH1A1HPGD
Potassium Ion SCHEMBL28802979 0.83 KMO (0.51) KMOMCL1CTRCALDH1A1HPGD
SCHEMBL3408828 0.83 KMO (0.62) KMOMCL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21001316 0.83 KMO (0.67) KMOMCL1CTRCALDH1A1HPGD
SCHEMBL29020139 0.82 KMO (0.56) KMOMCL1CTRCALDH1A1HPGD
SCHEMBL29020161 0.82 KMO (0.61) KMOMCL1ALDH1A1KDM4EMAPT

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 22 patents — showing the first 20. 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 disclosed
EP-3713926-B1 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS BAYER AG (DE) 2023-06-07 — — EP disclosed
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
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-3713923-B1 2-PHENYLPYRIMIDINE-4-CARBOXAMIDES AS AHR INHIBITORS BAYER AG (DE) 2021-12-01 — — EP disclosed
EP-3713923-A1 2-PHENYLPYRIMIDINE-4-CARBOXAMIDES AS AHR INHIBITORS Bayer Aktiengesellschaft (DE) 2020-09-30 — — EP 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-20200283395-A1 2-PHENYLPYRIMIDINE-4-CARBOXAMIDES AS AHR INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2020-09-10 — — US disclosed
WO-2019101641-A1 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2019-05-31 — — WO disclosed
WO-2019101647-A1 2-PHENYLPYRIMIDINE-4-CARBOXAMIDES AS AHR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2019-05-31 — — WO disclosed
US-8962834-B2 Modulators of amyloid beta HOFFMANN-LA ROCHE INC. (US) 2015-02-24 — — US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 — — EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 — — US disclosed
CN-101952275-A Modulators for amyloid beta HOFFMANN LA ROCHE 2011-01-19 — — CN disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 — — EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 — — US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — 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 (6 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 KMO 114/4885MCL1 168/4885CTRC 4024/4885
US-20200289509-A1 2-HETARYLPYRIMIDINE-4-CARBOXAMIDES AS ARYL HYDROCARBON RECEPTOR ANATGONISTS AHR, ARNT, HRH2 KMO 183/4885MCL1 1690/4885CTRC 3549/4885
US-11524944-B2 2-phenylpyrimidine-4-carboxamides as AHR inhibitors AHR, ARNT, IDO1 KMO 114/4885MCL1 168/4885CTRC 4024/4885
US-11304946-B2 2-hetarylpyrimidine-4-carboxamides as aryl hydrocarbon receptor antagonists AHR, ARNT, HRH2 KMO 164/4885MCL1 762/4885CTRC 3362/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB KMO 4286/4885MCL1 188/4885CTRC 3879/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB KMO 4246/4885MCL1 149/4885CTRC 3880/4885

“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.