SCHEMBL4515568

SCHEMBL4515568

CS(=O)(=O)c1cccc(Nc2nc3c(s2)-c2c(cnn2-c2ccccc2)CC3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA4 P22748 4/20 0.39
CA9 Q16790 4/20 0.39
CCNT1 O60563 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CDK9 P50750 2/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
CA1 P00915 3/20 0.37
JAK2 O60674 4/20 0.36
JAK3 P52333 4/20 0.36
PTK2 Q05397 4/20 0.36
DRD4 P21917 1/20 0.36
EPHB4 P54760 1/20 0.35
ROCK1 Q13464 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 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
SCHEMBL2143728 0.77 DRD4 (0.41) CA2CA4CA9CCNT1CCNA2
SCHEMBL2143831 0.76 PIK3CG (0.46) CA2CA4CA9CCNA2CDK2
SCHEMBL4510261 0.76 NPC1 (0.42) CA2CA4CA9CCNA2CDK2
SCHEMBL5552478 0.74 ALDH1A1 (0.41) CA2CA4CA9CCNA2CDK2
SCHEMBL4515570 0.74 CDK2 (0.41) CCNT1CCNA2CDK2CDK9CDK1
SCHEMBL11942158 0.74 ALOX5 (0.41) CA2CA4CA9DRD4LMNA
SCHEMBL5556207 0.73 ALDH1A1 (0.40) CA2CA4CA9CCNA2CDK2
SCHEMBL14817951 0.72 ALDH1A1 (0.40) CA2CA4CA9DRD4LMNA
SCHEMBL2143847 0.72 ALDH1A1 (0.41) CA2CA4CA9DRD4LMNA
SCHEMBL5556915 0.72 ALDH1A1 (0.41) CA2CA4CA9CCNA2CDK2

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 CA2 2157/4885CA4 2368/4885CA9 2513/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD CA2 1503/4885CA4 2439/4885CA9 2504/4885

“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.