SCHEMBL6495445

SCHEMBL6495445

Fc1ccc2oc3ccc(NCc4cccc(C(F)(F)F)c4)cc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
ROCK2 O75116 2/20 0.42
PRKACA P17612 2/20 0.42
GSK3B P49841 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
CDK2 P24941 2/20 0.42
CDC7 O00311 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
HIPK2 Q9H2X6 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
APP P05067 2/20 0.42
EGFR P00533 2/20 0.42
RPS6KB1 P23443 2/20 0.41
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41

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
SCHEMBL6495412 0.89 FFAR1 (0.49) FFAR1FFAR4CLK1DYRK1AROCK2
SCHEMBL6495120 0.87 FFAR1 (0.48) FFAR1CLK1DYRK1APRKACAGSK3B
SCHEMBL6481682 0.86 PPARA (0.44) FFAR1CLK1DYRK1AEGFRHDAC1
SCHEMBL6496615 0.83 MAOB (0.49) GAAHPGDMAOB
SCHEMBL6494818 0.82 CLK4 (0.42) FFAR1ROCK2PRKACAGSK3BCLK4
SCHEMBL6493476 0.82 GABRP (0.44) CLK4EGFRMAPTHPGDMAOB
SCHEMBL6493115 0.82 HIF1A (0.46) FFAR1CLK1DYRK1AEGFRMAPT
SCHEMBL6484551 0.80 USP10 (0.48) GAAHPGDHDAC1HDAC6MAOB
SCHEMBL5180466 0.80 FFAR1 (0.54) FFAR1FFAR4ROCK2PRKACAGSK3B
SCHEMBL6490356 0.80 HPGD (0.52) FFAR1CLK1DYRK1AROCK2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP claimed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO claimed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US disclosed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO 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 (2 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 FFAR1 4196/4885FFAR4 3709/4885CLK1 4412/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 FFAR1 3974/4885FFAR4 3503/4885CLK1 4747/4885

“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.