SCHEMBL9911900

SCHEMBL9911900

CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-n3ccc(C(=O)NC(C)(C)c4ccccc4)c3)cc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
DGAT2 Q96PD7 3/20 0.37
RIPK1 Q13546 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CSNK1E P49674 3/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
KIT P10721 1/20 0.34
PHGDH O43175 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
RAB9A P51151 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CSNK1D P48730 1/20 0.32

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
SCHEMBL9911903 0.90 PPARG (0.40) PPARGDGAT2RIPK1KDM4EMAPT
SCHEMBL2469404 0.85 PPARG (0.43) PPARGDGAT2RIPK1CSNK1ECNR1
SCHEMBL9911879 0.79 PHGDH (0.42) PPARGRIPK1CSNK1ECNR1CNR2
SCHEMBL13459695 0.77 PPARG (0.38) PPARGDGAT2KDM4EMAPTCSNK1E
SCHEMBL12330144 0.77 PPARG (0.39) PPARGDGAT2KDM4EMAPTCSNK1E
SCHEMBL1936614 0.76 PPARG (0.37) PPARGDGAT2KDM4EMAPTCSNK1E
SCHEMBL13241581 0.76 PPARG (0.41) PPARGRIPK1CSNK1ECNR1CNR2
SCHEMBL1936881 0.74 TDP2 (0.40) DGAT2CSNK1ECSNK1D
SCHEMBL13459289 0.74 PPARG (0.37) PPARGDGAT2CSNK1ECSNK1D
SCHEMBL1936109 0.73 MAPK14 (0.42) KDM4EMAPTALDH1A1CSNK1EEGLN1

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
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
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 716/4885DGAT2 1365/4885RIPK1 4066/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PPARG 716/4885DGAT2 1365/4885RIPK1 4066/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PPARG 716/4885DGAT2 1365/4885RIPK1 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.