SCHEMBL3274784

SCHEMBL3274784

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1cnccn1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
PIK3CG P48736 9/20 0.40
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
PIK3CA P42336 4/20 0.36
PI4KB Q9UBF8 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM4 P08173 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
SCHEMBL798617 0.83 PIK3CG (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1PIK3CG
SCHEMBL3273615 0.83 LMNA (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1PIK3CG
SCHEMBL2144002 0.80 MAPT (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1PIK3CG
SCHEMBL2143829 0.79 MAPT (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1PIK3CG
SCHEMBL2144189 0.79 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1PIK3CG
SCHEMBL1117899 0.79 PIK3CG (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1PIK3CG
SCHEMBL2143788 0.77 LMNA (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1PIK3CG
SCHEMBL3948651 0.76 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1PIK3CG
SCHEMBL4512392 0.76 MAPT (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1PIK3CG
SCHEMBL2143750 0.75 LMNA (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
CN-101035795-B Thiazolyl dihydroindazoles BOEHRINGER INGELHEIM INT 2012-03-21 CN disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
EP-1799690-B1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INT (DE) 2008-04-16 EP disclosed
CN-101035795-A Thiazolyl dihydroindazoles BOEHRINGER INGELHEIM INT (DE) 2007-09-12 CN 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

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-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 NPC1 920/4885RAB9A 2763/4885SMN1; SMN2 3431/4885
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R NPC1 118/4885RAB9A 2131/4885SMN1; SMN2 1337/4885

“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.