SCHEMBL831789

SCHEMBL831789

COC(=O)C=C(N)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CA14 Q9ULX7 1/20 0.32
GFPT1 Q06210 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL831788 1.00 HCAR2 (0.42) HCAR2KEAP1NFE2L2PDE4APDE4B
SCHEMBL8069973 0.82 HCAR2 (0.39) HCAR2KEAP1NFE2L2PDE4APDE4B
SCHEMBL8069970 0.82 HCAR2 (0.39) HCAR2KEAP1NFE2L2PDE4APDE4B
SCHEMBL11134387 0.79 HCAR2 (0.40) HCAR2KEAP1NFE2L2PDE4APDE4B
SCHEMBL6539016 0.79 HCAR2 (0.40) HCAR2KEAP1NFE2L2PDE4APDE4B
SCHEMBL6539020 0.79 HCAR2 (0.40) HCAR2KEAP1NFE2L2PDE4APDE4B
SCHEMBL14399728 0.77 TSHR (0.38) HCAR2KEAP1NFE2L2
SCHEMBL5447543 0.76 DGAT1 (0.34) CA14
SCHEMBL2647184 0.76 NPSR1 (0.50) HCAR2CA14
SCHEMBL2647130 0.76 NPSR1 (0.50) HCAR2CA14

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326389-B1 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES (JP) 1996-09-11 EP claimed
US-4935516-A Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1990-06-19 US claimed
EP-0326389-A2 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1989-08-02 EP claimed
US-10781177-B2 Pyridine compound and use thereof NIPPON SODA CO., LTD. (JP) 2020-09-22 US disclosed
US-20190071403-A1 PYRIDINE COMPOUND AND USE THEREOF NIPPON SODA CO., LTD. (JP) 2019-03-07 US disclosed
EP-3428151-A1 PYRIDINE COMPOUND AND USE THEREOF Nippon Soda Co., Ltd. (JP) 2019-01-16 EP disclosed
EP-3016961-B1 NOVEL RUTHENIUM CATALYSTS AND THEIR USE FOR ASYMMETRIC REDUCTION OF KETONES BOEHRINGER INGELHEIM INT (DE) 2017-11-15 EP disclosed
EP-3016961-A1 NOVEL RUTHENIUM CATALYSTS AND THEIR USE FOR ASYMMETRIC REDUCTION OF KETONES Boehringer Ingelheim International GmbH (DE) 2016-05-11 EP disclosed
US-9029540-B2 Ruthenium catalysts and their use for asymmetric reduction of ketones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 US disclosed
WO-2015002769-A1 NOVEL RUTHENIUM CATALYSTS AND THEIR USE FOR ASYMMETRIC REDUCTION OF KETONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 WO disclosed
US-20150005500-A1 NOVEL RUTHENIUM CATALYSTS AND THEIR USE FOR ASYMMETRIC REDUCTION OF KETONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-01 US disclosed
US-6069148-A ANTICHOLESTEROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-30 US disclosed
US-6063788-A TREATMRNT OF ARTHERIOSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-16 US disclosed
EP-0970053-A1 5-OXYSUBSTITUTED CHINOLINES AND THEIR USE AS CHOLESTEROL ESTER TRANSFER PROTEINS INHIBITORS BAYER AG (DE) 2000-01-12 EP disclosed
WO-1998039299-A1 5-OXYSUBSTITUTED CHINOLINES AND THEIR USE AS CHOLESTEROL ESTER TRANSFER PROTEINS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-11 WO disclosed
EP-0825185-A1 Pyridine fused to a bicyclic ring BAYER AG (DE) 1998-02-25 EP disclosed
EP-0818448-A1 Cycloalkano-pyridine as CETP inhibitors BAYER AG (DE) 1998-01-14 EP disclosed
EP-0326389-B1 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES (JP) 1996-09-11 EP disclosed
US-4935516-A Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1990-06-19 US disclosed
EP-0326389-A2 Process for preparing 4-hydroxypyrimidine UBE INDUSTRIES, LTD. (JP) 1989-08-02 EP 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 (3 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-10781177-B2 Pyridine compound and use thereof NOX1, NOXO1, NOX4 HCAR2 2929/4885KEAP1 22/4885NFE2L2 1331/4885
US-20190071403-A1 PYRIDINE COMPOUND AND USE THEREOF NOX1, NOXO1, NOX4 HCAR2 2929/4885KEAP1 22/4885NFE2L2 1331/4885
US-20150005500-A1 NOVEL RUTHENIUM CATALYSTS AND THEIR USE FOR ASYMMETRIC REDUCTION OF KETONES PDHB, CYP2E1, PDK1 HCAR2 2404/4885KEAP1 638/4885NFE2L2 407/4885

“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.