SCHEMBL2144157

SCHEMBL2144157

Nc1nc2c(s1)-c1c(cnn1-c1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
MPI P34949 1/20 0.44

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
SCHEMBL4520161 0.88 CCNT1 (0.46) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL11942169 0.82 MAPK14 (0.38) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL13870456 0.82 MAPT (0.32) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL2143818 0.82 MAPK14 (0.38) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL4082373 0.78 RIPK2 (0.37) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL2143929 0.76 PIK3CG (0.44) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL13870460 0.74 USP7 (0.32) SMN1; SMN2USP7
SCHEMBL4078512 0.74 KDM4E (0.37) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL11942170 0.72 SMN1; SMN2 (0.43) ALDH1A1NPC1RAB9APOLBKDM4E
SCHEMBL2143732 0.71 CCNT1 (0.46) MAPTALDH1A1NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US claimed
EP-2007382-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP claimed
WO-2007115931-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO claimed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US claimed
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
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-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
EP-2007382-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007115931-A1 THIAZOLYLDIHYDROCYCLOPENTAPYRAZOLES FOR USE AS PI3-KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 MAPT 4415/4885ALDH1A1 3040/4885NPC1 4417/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD MAPT 4447/4885ALDH1A1 1935/4885NPC1 4561/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB MAPT 20/4885ALDH1A1 115/4885NPC1 2801/4885

“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.