SCHEMBL2145077

SCHEMBL2145077

CC(=O)Nc1nc2c(s1)-c1c(c(C(=O)O)nn1-c1ccccc1Cl)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
ADORA1 P30542 1/20 0.38
DYRK1A Q13627 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
PIK3CG P48736 2/20 0.37
WNT3A P56704 1/20 0.37
AURKA O14965 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
PLK1 P53350 1/20 0.37
CCNA1 P78396 1/20 0.37
RIPK1 Q13546 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL4514385 0.90 ALDH1A1 (0.37) POLBADORA1DYRK1AALDH1A1HPGD
SCHEMBL2143898 0.90 WNT3A (0.43) POLBADORA1DYRK1AALDH1A1HPGD
SCHEMBL2143767 0.90 ALDH1A1 (0.43) POLBADORA1ALDH1A1PIK3CGMAPT
SCHEMBL11942161 0.89 ADORA1 (0.37) POLBADORA1DYRK1AALDH1A1HPGD
SCHEMBL2145080 0.88 ALDH1A1 (0.36) POLBADORA1DYRK1AALDH1A1HPGD
SCHEMBL2143808 0.88 NR1I2 (0.38) POLBADORA1DYRK1AALDH1A1HPGD
SCHEMBL3947866 0.87 CNR1 (0.42) ADORA1DYRK1AALDH1A1HPGDMAPT
SCHEMBL2143719 0.87 MAPT (0.36) POLBADORA1DYRK1AALDH1A1HPGD
SCHEMBL3273680 0.87 PIK3CG (0.44) POLBADORA1DYRK1AALDH1A1HPGD
SCHEMBL2143760 0.86 ALDH1A1 (0.35) POLBADORA1DYRK1AALDH1A1HPGD

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 10 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-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-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 POLB 2311/4885ADORA1 1525/4885DYRK1A 2962/4885
US-20060106013-A1 PI3-kinases PIK3C3, PIK3CB, PIK3CD POLB 1547/4885ADORA1 2040/4885DYRK1A 2906/4885

“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.