SCHEMBL4051246

SCHEMBL4051246

COc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2Cc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
CLK4 Q9HAZ1 2/20 0.45
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
HTT P42858 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CNR2 P34972 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 5/20 0.44
MAPT P10636 5/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL4051260 0.92 HTT (0.52) NR1H2NR1H3HTTKDM4ESMN1; SMN2
SCHEMBL4058160 0.91 HTT (0.54) NR1H2NR1H3HTTKDM4ESMN1; SMN2
SCHEMBL4053757 0.90 HTT (0.53) NR1H2NR1H3HTTKDM4ESMN1; SMN2
SCHEMBL4049864 0.90 BRD4 (0.51) CLK4NR1H2NR1H3HTTKDM4E
SCHEMBL4053870 0.89 MAPT (0.45) ADORA2AADORA1NR1H2NR1H3HTT
SCHEMBL4060426 0.88 MAPT (0.45) ADORA2AADORA1NR1H2NR1H3HTT
SCHEMBL4052511 0.88 MAPT (0.52) CLK4NR1H2NR1H3HTTKDM4E
SCHEMBL4059602 0.87 NR1H2 (0.47) NR1H2NR1H3HTTKDM4ESMN1; SMN2
SCHEMBL4059681 0.87 NR1H2 (0.48) NR1H2NR1H3HTTKDM4ESMN1; SMN2
SCHEMBL4062062 0.86 SERPINE1 (0.48) NR1H2NR1H3HTTKDM4ESMN1; 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 5 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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
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 CCR2 1828/4885ADORA2A 3069/4885ADORA1 3592/4885

“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.