SCHEMBL973372

SCHEMBL973372

COC(=O)/C=C/c1ccc2nc(C3(N)CCC3)n(C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.47
AKT2 P31751 3/20 0.45
IP6K1 Q92551 1/20 0.44
IP6K3 Q96PC2 1/20 0.44
IP6K2 Q9UHH9 1/20 0.44
TTR P02766 1/20 0.42
APP P05067 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HDAC1 Q13547 2/20 0.41
PTPN1 P18031 1/20 0.41
EPHX2 P34913 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
JAK2 O60674 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL973374 1.00 AKT1 (0.47) AKT1AKT2IP6K1IP6K3IP6K2
SCHEMBL974029 0.91 HDAC1 (0.47) AKT1AKT2IP6K1IP6K3IP6K2
SCHEMBL974028 0.91 HDAC1 (0.47) AKT1AKT2IP6K1IP6K3IP6K2
SCHEMBL12190763 0.89 TTR (0.46) AKT1TTRHDAC1CA12CA1
SCHEMBL13680346 0.89 TTR (0.46) AKT1TTRHDAC1CA12CA1
SCHEMBL6368019 0.88 HDAC1 (0.41) AKT1AKT2IP6K1IP6K3IP6K2
SCHEMBL12870909 0.85 IP6K1 (0.41) AKT1AKT2IP6K1IP6K3IP6K2
SCHEMBL12190734 0.85 APP (0.49) AKT1APPKDM4EALDH1A1HDAC1
SCHEMBL1173752 0.81 AKT1 (0.36) AKT1AKT2IP6K1IP6K3IP6K2
SCHEMBL1173749 0.81 AKT1 (0.36) AKT1AKT2IP6K1IP6K3IP6K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718608-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20110015203-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
EP-1718608-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2006-11-08 EP disclosed
EP-1587787-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP disclosed
US-20050222236-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 US disclosed
WO-2005080388-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-01 WO disclosed
US-20040171626-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-02 US disclosed
WO-2004065367-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-05 WO 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 (5 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-20040171626-A1 Viral polymerase inhibitors POLM, MED1, POLR2H AKT1 3093/4885AKT2 2899/4885IP6K1 2028/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A AKT1 3052/4885AKT2 3264/4885IP6K1 3005/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 AKT1 2142/4885AKT2 2791/4885IP6K1 3216/4885
US-20050222236-A1 Viral polymerase inhibitors POLR2A, POLR1E, RPP30 AKT1 2142/4885AKT2 2791/4885IP6K1 3216/4885
US-20110015203-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 AKT1 2142/4885AKT2 2791/4885IP6K1 3216/4885

“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.