SCHEMBL4051072

SCHEMBL4051072

CSc1ccc(Cc2nc3ncc(-c4ccco4)cc3[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
PDE10A Q9Y233 3/20 0.36
EGFR P00533 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
PRNP P04156 1/20 0.33
PDPK1 O15530 1/20 0.33
AXL P30530 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL4055088 0.89 PRNP (0.42) NOS3NOS1NOS2PDE10AEGFR
SCHEMBL4054333 0.87 GAA (0.43) NOS3NOS1NOS2PDE10AEGFR
SCHEMBL4059633 0.86 HPGD (0.38) NOS3NOS1NOS2PDE10AEGFR
SCHEMBL4061234 0.86 NOS3 (0.45) NOS3NOS1NOS2PDE10AEGFR
SCHEMBL4060932 0.86 MAPT (0.42) NOS3NOS1NOS2PDE10AEGFR
SCHEMBL4057348 0.85 NOS3 (0.48) NOS3NOS1NOS2SMN1; SMN2LMNA
SCHEMBL4060685 0.83 KIT (0.42) NOS3NOS1NOS2PDE10ATSHR
SCHEMBL13608095 0.83 AXL (0.37) PDE10AEGFRSMN1; SMN2LMNANPC1
SCHEMBL4056319 0.83 NOS3 (0.40) NOS3NOS1NOS2PDE10AEGFR
SCHEMBL4054960 0.82 MAPT (0.36) NOS3NOS1NOS2PDE10ASMN1; SMN2

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 NOS3 907/4885NOS1 879/4885NOS2 1019/4885

“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.