SCHEMBL4520319

SCHEMBL4520319

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1cn(COCC[Si](C)(C)C)cn1)CC2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PIK3CG P48736 1/20 0.30

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
SCHEMBL1771132 0.81 LMNA (0.32) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2144002 0.81 MAPT (0.38) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2144189 0.72 ALDH1A1 (0.50) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL3274784 0.72 NPC1 (0.41) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2143829 0.70 MAPT (0.42) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL17082682 0.70 LMNA (0.31) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL12598922 0.70 GAA (0.35) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL2143788 0.70 LMNA (0.40) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL3273615 0.69 LMNA (0.39) LMNAGAAMAPTHPGDPIK3CG
SCHEMBL1770441 0.69 ALDH1A1 (0.38) LMNAGAAMAPTHPGDPIK3CG

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 7 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
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-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 LMNA 3857/4885GAA 654/4885MAPT 4415/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD LMNA 4717/4885GAA 436/4885MAPT 4447/4885

“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.