SCHEMBL4501411

SCHEMBL4501411

CCOC(=O)C1CCc2nc(NC(C)=O)sc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 5/20 0.44
GAA P10253 4/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HSD17B10 Q99714 2/20 0.39
RECQL P46063 1/20 0.39
PDK1 Q15118 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
STAT1 P42224 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11942155 0.89 HPGD (0.43) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL2143829 0.84 MAPT (0.42) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL2143784 0.83 HPGD (0.43) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL2143722 0.81 MAPT (0.42) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL10103036 0.81 MAPT (0.43) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL3948651 0.81 ALDH1A1 (0.43) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL4512392 0.81 MAPT (0.40) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL2143750 0.80 LMNA (0.39) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL4042563 0.79 ALDH1A1 (0.39) ALDH1A1HPGDGAAMAPTLMNA
SCHEMBL2143737 0.79 LMNA (0.39) ALDH1A1HPGDGAAMAPTLMNA

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 3040/4885HPGD 1820/4885GAA 654/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD ALDH1A1 1935/4885HPGD 1862/4885GAA 436/4885

“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.