SCHEMBL4619479

SCHEMBL4619479

COc1ccc(-c2ccccc2CC(=O)O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ OXTR P30559 2/20 0.46
▸ PTGER1 P34995 1/20 0.46
▸ PTGER4 P35408 1/20 0.46
▸ PTGER3 P43115 1/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ CPB2 Q96IY4 1/20 0.46
▸ CYP2A6 P11509 1/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP12 P39900 2/20 0.44
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ FFAR1 O14842 1/20 0.43

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
SCHEMBL2735125 0.87 LMNA (0.49) LMNANPC1PKMMEN1KMT2A
SCHEMBL2735127 0.82 MKNK1 (0.47) LMNANPC1PKMMEN1KMT2A
SCHEMBL14007487 0.81 DPP4 (0.49) LMNANPC1PKMMKNK1MKNK2
Hydrochloric Acid SCHEMBL212945 0.81 MKNK1 (0.46) LMNANPC1PKMMEN1KMT2A
SCHEMBL16629580 0.79 CYP2A6 (0.47) LMNANPC1PKMMKNK1MKNK2
SCHEMBL18014697 0.79 CYP2A6 (0.47) LMNANPC1PKMMKNK1MKNK2
SCHEMBL4216332 0.79 MMP2 (0.62) MMP2MMP9MMP12FFAR1FFAR4
SCHEMBL1874313 0.78 PRKAG1 (0.53) LMNANPC1PKMKMT2AMKNK1
SCHEMBL968733 0.75 CYP2A6 (0.51) MKNK1MKNK2OXTRCYP2A6HSD17B1
SCHEMBL5961842 0.74 PTGS1 (0.59) LMNAKMT2APTGER1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709009-B1 6-AMINO-5-CYANO-PYRIMIDINE-4-ONES USED FOR IMPROVING PERCEPTION, POWER OF CONCENTRATION, LEARNING EFFICIENCY, AND/OR MEMORY POWER BOEHRINGER INGELHEIM INT (DE) 2013-11-20 — — EP disclosed
US-8431573-B2 Cyanopyrimidinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-30 — — US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 — — US disclosed
EP-1890702-A1 USE OF CYANOPYRIMIDINES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-02-27 — — EP disclosed
WO-2006125554-A1 USE OF CYANOPYRIMIDINES FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2006-11-30 — — WO disclosed
EP-1709009-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) 2006-10-11 — — EP 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 (1 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

“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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