SCHEMBL2735125

SCHEMBL2735125

COC(=O)Cc1ccccc1-c1ccc(OC)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ CYP2A6 P11509 1/20 0.43
▸ CPB2 Q96IY4 1/20 0.43
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ OXTR P30559 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ NAMPT P43490 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
SCHEMBL4619479 0.87 LMNA (0.50) LMNANPC1PKMKMT2AMEN1
SCHEMBL2735127 0.81 MKNK1 (0.47) LMNANPC1PKMKMT2AMEN1
SCHEMBL14007487 0.80 DPP4 (0.49) LMNANPC1PKMMKNK1MKNK2
Hydrochloric Acid SCHEMBL212945 0.80 MKNK1 (0.46) LMNANPC1PKMKMT2AMEN1
SCHEMBL7353766 0.79 KMT2A (0.51) LMNAKMT2AKDM4E
SCHEMBL18014697 0.78 CYP2A6 (0.47) LMNANPC1PKMMKNK1MKNK2
SCHEMBL16629580 0.78 CYP2A6 (0.47) LMNANPC1PKMMKNK1MKNK2
SCHEMBL28321278 0.77 ACLY (0.48) LMNANPC1PKMKMT2AMEN1
Hydrogen Sulfide SCHEMBL28029150 0.77 KMT2A (0.50) LMNAKMT2AKDM4E
SCHEMBL2555729 0.77 KCNA5 (0.51) NPC1KMT2AMEN1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 — — US disclosed
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 — — US disclosed
CN-102382063-A 6-amino-5-cyano-pyrimidine-4-ones compound used for improving perception, power of concentration, learning efficiency, and/or memory power BOEHRINGER INGELHEIM INT 2012-03-21 — — CN disclosed
US-8088769-B2 e.g. 2-(3,4-Dichlorophenyl)ethanamidine hydrochloride; phosphodiesterases inhibitor; learning enhancement, cognition activator; improving perception, concentration, or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-03 — — US disclosed
US-8088769-B2 e.g. 2-(3,4-Dichlorophenyl)ethanamidine hydrochloride; phosphodiesterases inhibitor; learning enhancement, cognition activator; improving perception, concentration, or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-03 — — US disclosed
CN-1926117-B 6-amino-5-cyano-pyrimidin-4-ones for improved perception, attention, learning efficiency, and/or memory BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-07 — — CN disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 — — US disclosed
US-20110207735-A1 CYANOPYRIMIDINONES HENDRIX MARTIN 2011-08-25 — — US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 — — US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 — — US disclosed
CN-1926117-A 6-amino-5-cyano-pyrimidin-4-ones for improved perception, attention, learning efficiency, and/or memory BAYER HEALTHCARE AG (DE) 2007-03-07 — — CN disclosed
WO-2006125554-A1 USE OF CYANOPYRIMIDINES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2006-11-30 — — WO disclosed
WO-2005068436-A1 6-AMINO-5-CYANO-PYRIMIDINE-4-ONES USED FOR IMPROVING PERCEPTION, POWER OF CONCENTRATION, LEARNING EFFICIENCY, AND/OR MEMORY POWER BAYER HEALTHCARE AG (DE) 2005-07-28 — — 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-20080255118-A1 Cyanopyrimidinones CACYBP, CHRM4, CHRNA4 LMNA 2224/4885NPC1 955/4885PKM 305/4885
US-20110207735-A1 CYANOPYRIMIDINONES CACYBP, CHRM4, CHRNA4 LMNA 2224/4885NPC1 955/4885PKM 305/4885

“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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