SCHEMBL4514385

SCHEMBL4514385

COC(=O)c1nn(-c2ccccc2Cl)c2c1CCc1nc(NC(C)=O)sc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RXRA P19793 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ADORA1 P30542 1/20 0.37
DYRK1A Q13627 1/20 0.37
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
PIK3CG P48736 2/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
WNT3A P56704 1/20 0.36
RIPK1 Q13546 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL2145077 0.90 POLB (0.38) ALDH1A1MAPTKMT2AMEN1ADORA1
SCHEMBL2143719 0.89 MAPT (0.36) ALDH1A1MAPTKMT2AMEN1ADORA1
SCHEMBL2143898 0.89 WNT3A (0.43) ALDH1A1MAPTADORA1DYRK1ALMNA
SCHEMBL11942161 0.88 ADORA1 (0.37) ALDH1A1MAPTKMT2AMEN1ADORA1
SCHEMBL11942160 0.87 PI4KA (0.36) ALDH1A1MAPTKMT2AMEN1ADORA1
SCHEMBL14365601 0.86 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1ADORA1
SCHEMBL2145080 0.86 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AMEN1ADORA1
SCHEMBL2143808 0.86 NR1I2 (0.38) ALDH1A1MAPTADORA1DYRK1ALMNA
SCHEMBL2143767 0.86 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1ADORA1
SCHEMBL3947866 0.85 CNR1 (0.42) ALDH1A1MAPTADORA1DYRK1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802636-B1 PI3 KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-03-27 EP disclosed
US-8232286-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-8232286-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-8232286-B2 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
EP-2343303-A1 PI3-kinase inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-13 EP disclosed
US-20090156554-A1 P13-KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-20090156554-A1 P13-KINASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-20060106013-A1 PI3-kinases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-18 US 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-20090156554-A1 P13-KINASES PIK3C3, PDPK1, MAP3K13 ALDH1A1 3040/4885MAPT 4415/4885KMT2A 4675/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD ALDH1A1 1935/4885MAPT 4447/4885KMT2A 4387/4885

“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.