SCHEMBL9911910

SCHEMBL9911910

CNC(=O)c1c2cc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3C)ccc2nn1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 7/20 0.42
CYP3A4 P08684 5/20 0.41
CYP2C8 P10632 5/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
KCNH2 Q12809 2/20 0.39
NR1I2 O75469 1/20 0.39
MAPK14 Q16539 2/20 0.39
PPARG P37231 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LCK P06239 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
JAK3 P52333 1/20 0.37
TEK Q02763 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL9911909 0.91 DGAT2 (0.48) DGAT2
SCHEMBL9911906 0.88 DGAT2 (0.41) DGAT2PIK3CDPIK3CAMTORPPARG
SCHEMBL9911905 0.79 DGAT2 (0.46) DGAT2PIK3CDPIK3CAMTORMAPK14
SCHEMBL2465223 0.76 MAPK14 (0.40) DGAT2CYP3A4CYP2C8MAPK14PPARG
SCHEMBL2986368 0.75 PPARG (0.40) DGAT2CYP3A4CYP2C8KCNH2MAPK14
SCHEMBL14977707 0.74 PPARG (0.39) DGAT2CYP3A4CYP2C8KCNH2MAPK14
SCHEMBL14977569 0.69 MAPK14 (0.37) DGAT2CYP2C8KCNH2MAPK14PPARG
SCHEMBL14977623 0.69 PPARG (0.39) DGAT2PPARGACSS2ROCK2ROCK1
SCHEMBL2437954 0.68 DGAT2 (0.42) DGAT2PPARGROCK2ROCK1
SCHEMBL14977688 0.68 PPARG (0.38) MAPK14PPARGROCK2ROCK1

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 12 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-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-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
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

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 DGAT2 1365/4885CYP3A4 230/4885CYP2C8 168/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 DGAT2 1365/4885CYP3A4 230/4885CYP2C8 168/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 DGAT2 1365/4885CYP3A4 230/4885CYP2C8 168/4885

“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.