SCHEMBL659948

SCHEMBL659948

Nc1nccc2c(Br)csc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.35
NOS2 P35228 3/20 0.35
PLAU P00749 2/20 0.35
F12 P00748 1/20 0.35
NCF1 P14598 1/20 0.35
NOS1 P29475 1/20 0.35
BACE1 P56817 1/20 0.35
CSNK2A1 P68400 2/20 0.35
HIPK2 Q9H2X6 1/20 0.35
AURKA O14965 1/20 0.34
KDR P35968 1/20 0.34
AURKB Q96GD4 1/20 0.34
AXL P30530 1/20 0.32
EPHB4 P54760 1/20 0.32
MAP4K4 O95819 1/20 0.31
MINK1 Q8N4C8 1/20 0.31
TNIK Q9UKE5 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 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
SCHEMBL26970102 0.79 PDE3B (0.32)
SCHEMBL8284992 0.78 NOS2 (0.45) NOS3NOS2PLAUF12NCF1
SCHEMBL23021866 0.78 NOS3 (0.34) NOS3NOS2PLAUF12NCF1
SCHEMBL660319 0.76 LMNA (0.35) HIPK2AXLMAPT
SCHEMBL26970098 0.76 KDM4E (0.34) PLAUKMT2AKDM4EMEN1HSP90AA1
SCHEMBL659154 0.76
SCHEMBL10479879 0.73
SCHEMBL31269878 0.71 AURKA (0.32) AURKAKDRAURKB
SCHEMBL10479963 0.71
SCHEMBL10479967 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
EP-2534156-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2012-12-19 EP disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 US disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 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 (1 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 NOS3 1415/4885NOS2 999/4885PLAU 4456/4885

“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.