SCHEMBL1358003

SCHEMBL1358003

CC(C)(C)c1cc(-c2ccc[nH]c2=O)cc2c(C(=O)N3CCC(F)(F)CC3)coc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.36
CNR1 P21554 1/20 0.34
JAK1 P23458 3/20 0.33
CYP3A4 P08684 4/20 0.33
IGLV6-57 P01721 1/20 0.33
CCR8 P51685 1/20 0.33
KCNH2 Q12809 1/20 0.33
AVPR1A P37288 1/20 0.32
JAK2 O60674 2/20 0.32
HSD11B1 P28845 1/20 0.32
SPR P35270 2/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE1C Q14123 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL1359385 0.91 MAPT (0.36) CRBNCYP3A4BRD4
SCHEMBL1359911 0.91 MAPT (0.34) CRBNCYP3A4PDE1APDE1BPDE4D
SCHEMBL1359529 0.90 MAPT (0.37) CYP3A4PDE1APDE1BPDE4DPDE7A
SCHEMBL1359873 0.90 CRBN (0.34) CRBNCYP3A4IGLV6-57CCR8KCNH2
SCHEMBL1358783 0.89 HSP90AA1 (0.39) SPRBRD4
SCHEMBL1359635 0.89 HSP90AA1 (0.38) CRBNCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL1357846 0.88 HSP90AA1 (0.40) CRBNCYP3A4SPRPDE1APDE1B
SCHEMBL13395571 0.88 CRBN (0.32) CRBNCYP3A4IGLV6-57CYP2C9
SCHEMBL1357836 0.87 ALDH1A1 (0.38) CRBNCYP3A4IGLV6-57PDE1APDE1B
SCHEMBL1360205 0.87 KDM1A (0.38) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067442-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-29 US claimed
EP-2334662-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. Hoffmann-La Roche AG (CH) 2011-06-22 EP claimed
US-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC 2010-04-01 US claimed
WO-2010034671-A1 PYRINE OR PYRAZINE DERIVATIVES FOR TREATING HCV F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 WO claimed

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-20100081658-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, POLR2A, HCCS CRBN 2892/4885CNR1 738/4885JAK1 1367/4885

“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.