SCHEMBL4057770

SCHEMBL4057770

Clc1ccc(Cc2nc3ncc(-c4ccco4)cc3[nH]2)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.37
ADORA2A P29274 4/20 0.37
ADORA1 P30542 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CLK1 P49759 2/20 0.35
CLK2 P49760 2/20 0.35
DYRK1A Q13627 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
EGFR P00533 1/20 0.34
BRAF P15056 1/20 0.34
SLC5A2 P31639 1/20 0.34
TYMP P19971 1/20 0.34
PTGES O14684 1/20 0.34
WDR5 P61964 1/20 0.34

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
SCHEMBL4056418 0.90 NOS1 (0.41) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL4060932 0.89 MAPT (0.42) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL4055272 0.87 GALR3 (0.44) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL4056319 0.86 NOS3 (0.40) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL4055088 0.85 PRNP (0.42) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL4054333 0.85 GAA (0.43) LMNAMAPTSMN1; SMN2NOS3NOS1
SCHEMBL4061234 0.84 NOS3 (0.45) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL4059633 0.84 HPGD (0.38) ADORA2AADORA1LMNAMAPTSMN1; SMN2
SCHEMBL4060153 0.83 KDM4E (0.39) ADORA2AADORA1LMNAMAPTNOS3
SCHEMBL13608075 0.83 RNASEH1 (0.37) RNASEH1ADORA2AADORA1LMNAMAPT

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 RNASEH1 3788/4885ADORA2A 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.