SCHEMBL2144189

SCHEMBL2144189

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1ccccc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
POLB P06746 3/20 0.50
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ADORA2A P29274 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA1 P30542 2/20 0.41
DYRK1A Q13627 1/20 0.41
PIK3CG P48736 3/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL798617 0.88 PIK3CG (0.49) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL2143788 0.85 LMNA (0.40) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL14231194 0.85 RAB9A (0.39) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL3273615 0.85 LMNA (0.39) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL3272226 0.85 DYRK1A (0.46) ALDH1A1SMN1; SMN2RAB9APOLBL3MBTL1
SCHEMBL14365580 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL2143829 0.84 MAPT (0.42) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL3274675 0.84 KMT2A (0.46) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL2143844 0.84 RAB9A (0.51) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL1117899 0.84 PIK3CG (0.41) ALDH1A1SMN1; SMN2NPC1RAB9APOLB

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 25 patents — showing the first 20. 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
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
CN-101035795-B Thiazolyl dihydroindazoles BOEHRINGER INGELHEIM INT 2012-03-21 CN disclosed
EP-2343303-A1 PI3-kinase inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-13 EP disclosed
EP-2343303-A1 PI3-kinase inhibitors Boehringer Ingelheim International GmbH (DE) 2011-07-13 EP disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US 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
EP-1799690-B1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2008-04-16 EP disclosed
EP-1799690-B1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2008-04-16 EP disclosed
CN-101035795-A Thiazolyl dihydroindazoles BOEHRINGER INGELHEIM INT (DE) 2007-09-12 CN disclosed
EP-1799690-A1 THIAZOLYL-DIHYDRO INDAZOLES Boehringer Ingelheim International GmbH (DE) 2007-06-27 EP disclosed
US-20060106013-A1 PI3-kinases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-18 US disclosed
US-20060100254-A1 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) 2006-05-11 US disclosed
WO-2006040281-A1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-20 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 (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-20060100254-A1 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 CDK1, MAPK1, NFATC1 ALDH1A1 1013/4885SMN1; SMN2 3431/4885NPC1 920/4885
US-20090156554-A1 P13-KINASES PIK3C3, PDPK1, MAP3K13 ALDH1A1 3040/4885SMN1; SMN2 3429/4885NPC1 4417/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD ALDH1A1 1935/4885SMN1; SMN2 3272/4885NPC1 4561/4885

“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.