SCHEMBL798617

SCHEMBL798617

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1cccnc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.49
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 3/20 0.43
PIK3CA P42336 4/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 2/20 0.40
CHRM5 P08912 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 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
SCHEMBL3273645 0.91 ALDH1A1 (0.47) PIK3CGALDH1A1NPC1RAB9AKMT2A
SCHEMBL10103040 0.90 ALDH1A1 (0.45) PIK3CGALDH1A1NPC1RAB9AKMT2A
SCHEMBL3277195 0.90 ALDH1A1 (0.47) PIK3CGALDH1A1NPC1RAB9AKMT2A
SCHEMBL3277199 0.89 ALDH1A1 (0.46) PIK3CGALDH1A1NPC1RAB9AKMT2A
SCHEMBL2144189 0.88 ALDH1A1 (0.50) PIK3CGALDH1A1NPC1RAB9AKMT2A
SCHEMBL10111227 0.88 ALDH1A1 (0.45) PIK3CGALDH1A1NPC1RAB9AKMT2A
SCHEMBL3273615 0.87 LMNA (0.39) PIK3CGALDH1A1NPC1RAB9AMAPT
SCHEMBL10103042 0.86 RAB9A (0.42) PIK3CGALDH1A1NPC1RAB9AKMT2A
SCHEMBL1117899 0.85 PIK3CG (0.41) PIK3CGALDH1A1NPC1RAB9AMAPT
SCHEMBL3274784 0.83 NPC1 (0.41) PIK3CGALDH1A1NPC1RAB9AKMT2A

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 45 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
EP-1802636-B1 PI3 KINASES INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-03-27 EP disclosed
EP-2007773-B1 THIAZOLYL DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2012-10-24 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-2007774-B1 THIAZOLYLDIHYDROINDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-07-25 EP disclosed
EP-2007774-B1 THIAZOLYLDIHYDROINDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-07-25 EP 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-20070270401-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 US disclosed
US-20070270401-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 US disclosed
WO-2007113245-A1 THIAZOLYL DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 WO disclosed
WO-2007113246-A1 THIAZOLYLDIHYDROINDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 WO disclosed
WO-2007113246-A1 THIAZOLYLDIHYDROINDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 WO 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 PIK3CG 78/4885ALDH1A1 1013/4885NPC1 920/4885
US-20070270401-A1 Thiazolyl-Dihydro-Indazole MKI67, INSR, CCNT1 PIK3CG 4314/4885ALDH1A1 44/4885NPC1 207/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD PIK3CG 5/4885ALDH1A1 1935/4885NPC1 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.