SCHEMBL9911905

SCHEMBL9911905

CNC(=O)c1c2cc(-c3cccc(C(=O)NC(C)(C)C)c3)ccc2nn1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 3/20 0.46
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.38
NR4A2 P43354 1/20 0.38
GRM5 P41594 2/20 0.38
MAPK14 Q16539 2/20 0.38
ACSS2 Q9NR19 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
ANO1 Q5XXA6 2/20 0.37

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
SCHEMBL9911906 0.90 DGAT2 (0.41) DGAT2PIK3CDPIK3CAMTORGRM5
SCHEMBL9911908 0.79 CYP2C8 (0.51) DGAT2PIK3CDPIK3CAMTOR
SCHEMBL9911910 0.79 DGAT2 (0.42) DGAT2PIK3CDPIK3CAMTORMAPK14
SCHEMBL9911909 0.78 DGAT2 (0.48) DGAT2
SCHEMBL4942119 0.75 CHEK1 (0.46) PIK3CDPIK3CAMTORGRM5MAPK14
SCHEMBL1935984 0.74 PIK3CG (0.45) PIK3CGNR4A2ANO1
SCHEMBL13701631 0.73 HDAC8 (0.54) PIK3CGNR4A2
SCHEMBL1936816 0.72 ANO1 (0.38) ANO1
SCHEMBL1919864 0.72 CYP3A4 (0.52)
SCHEMBL1936881 0.72 TDP2 (0.40) DGAT2PIK3CGANO1

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 1365/4885PIK3CD 1881/4885PIK3CA 1466/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 DGAT2 1365/4885PIK3CD 1881/4885PIK3CA 1466/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 DGAT2 1365/4885PIK3CD 1881/4885PIK3CA 1466/4885

“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.