SCHEMBL4060932

SCHEMBL4060932

Clc1ccc(Cc2nc3ncc(-c4ccco4)cc3[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
PRNP P04156 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
ADORA2A P29274 3/20 0.38
CASP3 P42574 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
PDE10A Q9Y233 1/20 0.36
EGFR P00533 2/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA1 P30542 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4053237 0.90 NOS3 (0.42) MAPTSIRT1ADORA2ACASP3NOS3
SCHEMBL4055088 0.90 PRNP (0.42) MAPTPRNPSIRT1ADORA2ANOS3
SCHEMBL4054333 0.90 GAA (0.43) MAPTSIRT1NOS3NOS1NOS2
SCHEMBL4055272 0.89 GALR3 (0.44) MAPTPRNPADORA2AALDH1A1POLB
SCHEMBL4057770 0.89 RNASEH1 (0.37) MAPTADORA2ANOS3NOS1NOS2
SCHEMBL4059633 0.89 HPGD (0.38) MAPTPRNPADORA2ANOS3NOS1
SCHEMBL4061234 0.89 NOS3 (0.45) MAPTADORA2ANOS3NOS1NOS2
SCHEMBL4060685 0.86 KIT (0.42) ADORA2ANOS3NOS1NOS2PDE10A
SCHEMBL4057348 0.86 NOS3 (0.48) MAPTSIRT1ADORA2ANOS3NOS1
SCHEMBL4051072 0.86 NOS3 (0.37) MAPTPRNPADORA2ANOS3NOS1

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 MAPT 4026/4885PRNP 4840/4885SIRT1 2552/4885

“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.