SCHEMBL804150

SCHEMBL804150

COOCc1ccc2c(C3CCCCC3)c(-c3cccn3C(=O)OC(C)(C)C)[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
MARK3 P27448 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2B Q13554 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PRMT5 O14744 3/20 0.33
EPHX1 P07099 1/20 0.32
ATR Q13535 1/20 0.32
CACNA1B Q00975 2/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PDE4B Q07343 1/20 0.31
BRD3 Q15059 1/20 0.30
MET P08581 1/20 0.30
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL773521 0.83 PARP1 (0.43) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL13286184 0.79 CNR2 (0.33) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL804684 0.78 HSP90AA1 (0.33) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL13965471 0.75 TUBB4A (0.33) HDAC1HDAC8HDAC6
SCHEMBL804104 0.75 MLNR (0.34) HDAC1
SCHEMBL803802 0.74 BCHE (0.36) PDE4BHDAC1HDAC8HDAC6
SCHEMBL13886653 0.73 CACNA1B (0.34) CACNA1BHDAC1
SCHEMBL13285988 0.73 TLR9 (0.37)
SCHEMBL13285903 0.73 ESR1 (0.33) HSP90AB1
SCHEMBL804035 0.72 HTR2A (0.34)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PIM1 2592/4885MARK3 4010/4885MAP4K2 2870/4885

“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.