SCHEMBL2429951

SCHEMBL2429951

O=c1[nH]cnc2c(Br)c[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNP P00491 15/20 0.49
ALDH1A1 P00352 1/20 0.48
PDPK1 O15530 1/20 0.46

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
SCHEMBL16475170 0.92 PDPK1 (0.50) PNPALDH1A1PDPK1
SCHEMBL4736800 0.78 PNP (0.50) PNPALDH1A1PDPK1
SCHEMBL15628196 0.76 PDPK1 (0.55) PNPALDH1A1PDPK1
SCHEMBL13691975 0.74 PNP (0.62) PNP
SCHEMBL9887964 0.73 PNP (0.60) PNP
SCHEMBL29951398 0.73 PNP (0.48) PNPALDH1A1PDPK1
SCHEMBL14087021 0.73 PNP (0.46) PNPALDH1A1PDPK1
SCHEMBL22907451 0.72 PNP (0.55) PNPALDH1A1PDPK1
SCHEMBL12715779 0.72 PDPK1 (0.53) PNPALDH1A1PDPK1
SCHEMBL3945500 0.72 PNP (0.45) PNPALDH1A1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 US disclosed
WO-2015128334-A9 3H-THIENO[3,4]PYRIMIDIN-4-ONEAND PYRROLOPYRIMID-4-ONE AS GRAM-POSITIVE ANTIBACTERIAL AGENTS LABORATOIRE BIODIM (FR) 2015-10-15 WO disclosed
EP-2927233-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2015-10-07 EP disclosed
WO-2015128334-A1 3H-THIENO[3,4]PYRIMIDIN-4-ONEAND PYRROLOPYRIMID-4-ONE AS GRAM-POSITIVE ANTIBACTERIAL AGENTS LABORATOIRE BIODIM (FR) 2015-09-03 WO disclosed
EP-2913333-A1 3H-thieno[3,4]pyrimidin-4-one and pyrrolopyrimidone as gram-positive antibacterial agents LABORATOIRE BIODIM (FR) 2015-09-02 EP disclosed
EP-2547677-B1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE PROXIMAGEN LTD (GB) 2015-05-06 EP disclosed
US-8658637-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
US-8658637-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
US-8658637-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 US disclosed
EP-2547677-A2 INHIBITORS OF SEMICARABAZIDE - SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2013-01-23 EP disclosed
WO-2011113798-A2 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2011-09-22 WO disclosed
US-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
EP-2102170-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008070507-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-12 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-20130102587-A1 New Enzyme Inhibitor Compounds SERPINB1, SSB, NFKBIA PNP 159/4885ALDH1A1 183/4885PDPK1 851/4885
US-20100197678-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R PNP 2764/4885ALDH1A1 3671/4885PDPK1 3742/4885

“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.