SCHEMBL1155072

SCHEMBL1155072

Oc1nncc2[nH]ncc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.35
AXL P30530 2/20 0.35
IDO1 P14902 5/20 0.33
CHEK1 O14757 1/20 0.33
TDO2 P48775 1/20 0.33
METAP2 P50579 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
CDK2 P24941 2/20 0.31
HSP90AA1 P07900 1/20 0.31
CCNA2 P20248 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL399660 0.74 IDO1 (0.41) NOS1AXLIDO1CHEK1TDO2
SCHEMBL30414670 0.74 IDO1 (0.41) NOS1AXLIDO1CHEK1TDO2
SCHEMBL19153649 0.74 IDO1 (0.40) NOS1AXLIDO1TDO2METAP2
SCHEMBL25183087 0.70 METAP2 (0.33) NOS1AXLMETAP2
SCHEMBL23122212 0.69 CYP1A2 (0.38) NOS1AXLIDO1TDO2METAP2
SCHEMBL18238082 0.69 METAP2 (0.37) NOS1AXLIDO1TDO2METAP2
SCHEMBL1155424 0.68 NOS1 (0.42) NOS1AXLIDO1METAP2CDK2
SCHEMBL15378479 0.67 NOS1 (0.36) NOS1AXLIDO1TDO2METAP2
SCHEMBL1155016 0.65 NOS1 (0.35) NOS1IDO1CHEK1FGFR1FGFR2
SCHEMBL12321248 0.63 NOS1 (0.56) NOS1AXLIDO1TDO2METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802596-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-12 US disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 US disclosed
US-8232265-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-07-31 US disclosed
US-8232265-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-07-31 US disclosed
US-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. 2011-02-24 US disclosed
US-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. 2011-02-24 US disclosed
US-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. 2011-02-24 US disclosed
WO-2009091939-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS OSI PHARMACEUTICALS, INC. (US) 2009-07-23 WO disclosed
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2007-04-26 US disclosed
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2007-04-26 US disclosed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 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 (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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK NOS1 1257/4885AXL 2342/4885IDO1 1123/4885
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients SLC5A6, PNLIP, IPMK NOS1 1257/4885AXL 2342/4885IDO1 1123/4885
US-20110046144-A1 IMIDAZOPYRAZINOL DERIVATIVES FOR THE TREATMENT OF CANCERS IGF1R, IGFBP3, INSR NOS1 2230/4885AXL 1837/4885IDO1 51/4885

“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.