SCHEMBL9911879

SCHEMBL9911879

CNC(=O)c1c(-c2ccccc2)nn2ccc(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.42
PPARG P37231 2/20 0.39
RIPK1 Q13546 1/20 0.39
TACR3 P29371 1/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
ACSS2 Q9NR19 1/20 0.37
IMPDH2 P12268 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
TDP2 O95551 2/20 0.37
PIK3CG P48736 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1E P49674 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
USP36 Q9P275 1/20 0.36
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL2469404 0.95 PPARG (0.43) PHGDHPPARGRIPK1CNR1CNR2
SCHEMBL9911878 0.92 PHGDH (0.45) PHGDHPPARGRIPK1TACR3ROCK2
SCHEMBL9911884 0.90 PHGDH (0.41) PHGDHPPARGRIPK1TACR3ROCK2
SCHEMBL13241581 0.85 PPARG (0.41) PHGDHPPARGRIPK1ROCK2ROCK1
SCHEMBL1936881 0.84 TDP2 (0.40) TDP2PIK3CGCSNK1E
SCHEMBL1934944 0.79 MEN1 (0.43) TDP2PIK3CGCSNK1EKDM5AKDM4C
SCHEMBL12330144 0.79 PPARG (0.39) PHGDHPPARGCSNK1E
SCHEMBL13459695 0.79 PPARG (0.38) PHGDHPPARGROCK2ROCK1CSNK1E
SCHEMBL9911900 0.79 PPARG (0.40) PHGDHPPARGRIPK1CNR1CNR2
SCHEMBL1936614 0.78 PPARG (0.37) PHGDHPPARGCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331502-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2016-03-02 EP 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-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 PHGDH 1699/4885PPARG 716/4885RIPK1 4066/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PHGDH 1699/4885PPARG 716/4885RIPK1 4066/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PHGDH 1699/4885PPARG 716/4885RIPK1 4066/4885

“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.