SCHEMBL4510261

SCHEMBL4510261

NC(=O)Nc1nc2c(s1)-c1c(cnn1-c1ccccc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
CA9 Q16790 3/20 0.40
AURKA O14965 2/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
DRD4 P21917 1/20 0.39
GAA P10253 1/20 0.36
RIPK2 O43353 1/20 0.36
PIK3CG P48736 5/20 0.36
PIK3CD O00329 4/20 0.36
PIK3CA P42336 4/20 0.36
PIK3CB P42338 4/20 0.36

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
SCHEMBL4082373 0.90 RIPK2 (0.37) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL5556915 0.89 ALDH1A1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL2143831 0.89 PIK3CG (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL2143777 0.89 NPC1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL11942158 0.87 ALOX5 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL5552478 0.87 ALDH1A1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL2143847 0.87 ALDH1A1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL5556207 0.86 ALDH1A1 (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL11952566 0.86 PI4KB (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL14817951 0.85 ALDH1A1 (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2TP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US claimed
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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 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 (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-20090156554-A1 P13-KINASES PIK3C3, PDPK1, MAP3K13 NPC1 4417/4885ALDH1A1 3040/4885RAB9A 867/4885
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA NPC1 2469/4885ALDH1A1 60/4885RAB9A 471/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD NPC1 4561/4885ALDH1A1 1935/4885RAB9A 787/4885

“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.