SCHEMBL2469800

SCHEMBL2469800

CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)O)c(OC(F)F)nc3C)c(F)c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.37
CSNK1E P49674 5/20 0.37
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
ALK Q9UM73 1/20 0.32
PPARA Q07869 1/20 0.32
PTGFR P43088 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
ALOX5AP P20292 1/20 0.31
RIPK1 Q13546 1/20 0.30
ADORA1 P30542 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL2468380 0.91 CSNK1D (0.37) CSNK1DCSNK1ECNR2CNR1ABHD6
SCHEMBL2465370 0.87 CYP2C8 (0.40) CSNK1DCSNK1ECNR2CNR1
SCHEMBL2467631 0.84 NPC1 (0.38) CSNK1DCSNK1ECNR2CNR1ABHD6
SCHEMBL2464901 0.83 CYP2C8 (0.43) CNR2CNR1
SCHEMBL2433801 0.82 ALDH1A1 (0.36) CSNK1DCSNK1ECNR2CNR1ALDH1A1
SCHEMBL2467958 0.82 CNR1 (0.38) CSNK1DCSNK1ECNR2CNR1ABHD6
SCHEMBL1934770 0.81 CSNK1D (0.37) CSNK1DCSNK1ERIPK1
SCHEMBL2465993 0.78 CYP2C8 (0.41) CNR2ABHD6RIPK1
SCHEMBL1936453 0.77 CYP2C8 (0.41) CSNK1DCSNK1EPTGFRPIK3CDPIK3CA
SCHEMBL1935263 0.77 PTGFR (0.40) CSNK1DCSNK1EPTGFRALDH1A1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545050-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-08-13 EP disclosed
EP-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US 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-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CSNK1D 1209/4885CSNK1E 884/4885CNR2 3082/4885

“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.