SCHEMBL4060141

SCHEMBL4060141

Brc1cnc2nc(-c3cccc(OCC4CCCCC4)c3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
AURKA O14965 2/20 0.45
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
PRMT5 O14744 4/20 0.40
IGF1R P08069 1/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
ESR1 P03372 1/20 0.39
ADORA2A P29274 1/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL4062368 0.88 PRMT5 (0.45) AURKACCNA2CDK2PRMT5IGF1R
SCHEMBL4057922 0.85 AURKA (0.48) LMNAHTTSMN1; SMN2NPSR1RXFP1
SCHEMBL13607833 0.83 IGF1R (0.40) CCNA2CDK2IGF1RTLR4TLR2
SCHEMBL4057754 0.83 CHRNB1 (0.42) AURKACCNA2CDK2PRMT5IGF1R
SCHEMBL4054205 0.82 SCD (0.44) AURKACCNA2CDK2PRMT5IGF1R
SCHEMBL4058201 0.81 SMN1; SMN2 (0.55) LMNAHTTSMN1; SMN2NPSR1RXFP1
SCHEMBL4055350 0.79 SMN1; SMN2 (0.53) LMNAHTTSMN1; SMN2NPSR1RXFP1
SCHEMBL4054555 0.79 AURKA (0.67) LMNAHTTSMN1; SMN2NPSR1RXFP1
SCHEMBL4060144 0.78 SMN1; SMN2 (0.52) LMNAHTTSMN1; SMN2NPSR1RXFP1
SCHEMBL4052740 0.78 SMN1; SMN2 (0.49) LMNAHTTSMN1; SMN2NPSR1RXFP1

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 LMNA 2175/4885HTT 4772/4885SMN1; SMN2 4289/4885

“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.