SCHEMBL2986368

SCHEMBL2986368

CNC(=O)c1c(-c2ccc(F)cc2)nc2cc(C)c(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3C)cn12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
MAPK14 Q16539 3/20 0.39
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 1/20 0.37
DGAT2 Q96PD7 2/20 0.36
CYP2C8 P10632 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.36
ACSS2 Q9NR19 2/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
NTRK1 P04629 1/20 0.34
IMPDH2 P12268 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
DDR2 Q16832 1/20 0.34

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
SCHEMBL2465223 0.92 MAPK14 (0.40) PPARGMAPK14ROCK2ROCK1DGAT2
SCHEMBL9911933 0.86 MAPK14 (0.42) MAPK14CYP2C8KCNH2CSNK1DCSNK1E
SCHEMBL14977707 0.85 PPARG (0.39) PPARGMAPK14ROCK2ROCK1DGAT2
SCHEMBL2437954 0.85 DGAT2 (0.42) PPARGROCK2ROCK1DGAT2CSNK1D
SCHEMBL2466314 0.83 ROCK2 (0.44) PPARGMAPK14ROCK2ROCK1DGAT2
SCHEMBL1935032 0.82 CSNK1D (0.43) PPARGCSNK1DCSNK1E
SCHEMBL14977623 0.82 PPARG (0.39) PPARGROCK2ROCK1DGAT2ACSS2
SCHEMBL14977569 0.81 MAPK14 (0.37) PPARGMAPK14DGAT2CYP2C8KCNH2
SCHEMBL14977604 0.79 MAPK14 (0.36) PPARGMAPK14DGAT2CYP2C8KCNH2
SCHEMBL14977379 0.79 DGAT2 (0.42) PPARGROCK2ROCK1DGAT2ACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-20120232099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-09-13 US disclosed
US-20120232099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-09-13 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 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
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
WO-2010030538-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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 (3 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-20100063068-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PPARG 716/4885MAPK14 2754/4885ROCK2 3371/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PPARG 716/4885MAPK14 2754/4885ROCK2 3371/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PPARG 716/4885MAPK14 2754/4885ROCK2 3371/4885

“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.