SCHEMBL4049571

SCHEMBL4049571

COc1ccc(Cc2nc3ncc(-c4ccccc4F)cc3[nH]2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SCD O00767 1/20 0.40
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
GRIN2B Q13224 3/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAP4K1 Q92918 2/20 0.36
CTSA P10619 1/20 0.36
GRIN1 Q05586 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4051456 0.93 POLB (0.55) POLBNOS3NOS1NOS2SCD
SCHEMBL4051128 0.87 NOS3 (0.48) POLBNOS3NOS1NOS2SCD
SCHEMBL4056469 0.86 NOS3 (0.54) POLBNOS3NOS1NOS2GRIN2B
SCHEMBL4062462 0.85 NOS3 (0.48) NOS3NOS1NOS2SCDGRIN2B
SCHEMBL4056443 0.83 HSP90AA1 (0.51) POLBNOS3NOS1NOS2SCD
SCHEMBL4052646 0.83 SCD (0.45) POLBNOS3NOS1NOS2SCD
SCHEMBL4055325 0.81 MAPT (0.44) POLBNOS3NOS1NOS2SCD
SCHEMBL4055977 0.80 POLB (0.43) POLBNOS3NOS1NOS2KDM4E
SCHEMBL4053584 0.79 POLB (0.60) POLBNOS3NOS1NOS2GRIN2B
SCHEMBL4058869 0.79 RXFP1 (0.54) POLBNOS3NOS1NOS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B POLB 783/4885NOS3 907/4885NOS1 879/4885

“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.