SCHEMBL1221248

SCHEMBL1221248

c1ccc(-c2nc3cn[nH]cc-3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.61
AKT1 P31749 1/20 0.61
IDO1 P14902 1/20 0.48
METAP2 P50579 1/20 0.48
KEAP1 Q14145 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
POLB P06746 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
ILK Q13418 1/20 0.41
CLK2 P49760 2/20 0.41
HIPK1 Q86Z02 2/20 0.41
HIPK2 Q9H2X6 2/20 0.41
HIPK3 Q9H422 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
DYRK2 Q92630 1/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL82741 0.76 AKT2 (1.00) AKT2AKT1IDO1METAP2KEAP1
Benzene SCHEMBL28198087 0.76 AKT2 (1.00) AKT2AKT1IDO1METAP2KEAP1
SCHEMBL1220117 0.76 KDM4E (0.59) AKT2AKT1METAP2L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL72435 0.74 AKT2 (0.95) AKT2AKT1IDO1METAP2KEAP1
SCHEMBL16872766 0.74 AKT2 (0.95) AKT2AKT1ILKCLK2HIPK1
SCHEMBL29599274 0.72 AKT2 (0.61) AKT2AKT1ILKCLK2HIPK1
SCHEMBL28941664 0.71 AKT2 (0.87) AKT2AKT1ILKCLK2HIPK1
SCHEMBL15606681 0.71 AKT2 (0.87) AKT2AKT1ILKCLK2HIPK1
SCHEMBL371042 0.69 L3MBTL1 (0.74) L3MBTL1ADORA2AADORA1POLBADORA3
SCHEMBL1411850 0.69 ADORA2A (0.43) AKT2AKT1IDO1METAP2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
WO-2010081145-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-07-15 WO disclosed
EP-2178877-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GlaxoSmithKline LLC (US) 2010-04-28 EP disclosed
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them LEIVERS MARTIN ROBERT 2010-02-04 US disclosed
WO-2010006096-A1 PROCESSES FOR THE PREPARATION OF ANTI-VIRAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 WO disclosed
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
US-20090074717-A1 Anti-viral compounds, compositions, and methods of use GLAXOSMITHKLINE LLC 2009-03-19 US disclosed
WO-2009011787-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2009-01-22 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 (4 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-20090074717-A1 Anti-viral compounds, compositions, and methods of use HAVCR2, SARS1, RPL35 AKT2 4774/4885AKT1 4771/4885IDO1 3004/4885
US-20110044943-A1 Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, SARS1, RPL35 AKT2 4774/4885AKT1 4771/4885IDO1 3004/4885
US-20090197880-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HAVCR2, SARS1, RPL35 AKT2 4774/4885AKT1 4771/4885IDO1 3004/4885
US-20100029655-A1 Processes For The Preparation Of Anti-Viral Compounds And Compositions Containing Them RPL35, HAVCR2, RPL5 AKT2 4275/4885AKT1 4376/4885IDO1 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.