SCHEMBL9911913

SCHEMBL9911913

CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(F)cc(C(=O)NC4(c5ccccc5)CC4)c3)c(F)c12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 6/20 0.46
CYP3A4 P08684 5/20 0.46
KCNH2 Q12809 3/20 0.38
NR1I2 O75469 1/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
TACR3 P29371 1/20 0.35
DGAT2 Q96PD7 1/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
MAPK14 Q16539 1/20 0.33
DYRK1A Q13627 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL9911914 0.89 CYP2C8 (0.49) CYP2C8CYP3A4KCNH2NR1I2CNR2
SCHEMBL1937067 0.88 CYP2C8 (0.48) CYP2C8CYP3A4KCNH2NR1I2CNR2
SCHEMBL1937117 0.88 CYP2C8 (0.57) CYP2C8CYP3A4KCNH2NR1I2TACR3
SCHEMBL1935004 0.83 CYP2C8 (0.48) CYP2C8CYP3A4KCNH2NR1I2CNR2
SCHEMBL2997319 0.81 CYP2C8 (0.42) CYP2C8CYP3A4KCNH2NR1I2TACR3
SCHEMBL2465993 0.81 CYP2C8 (0.41) CYP2C8CYP3A4KCNH2NR1I2CNR2
SCHEMBL2467410 0.80 CYP2C8 (0.46) CYP2C8CYP3A4KCNH2NR1I2TACR3
SCHEMBL13459283 0.80 CYP2C8 (0.30) CYP2C8CYP3A4KCNH2
SCHEMBL2465370 0.80 CYP2C8 (0.40) CYP2C8CYP3A4KCNH2NR1I2CNR2
SCHEMBL1936880 0.79 CYP2C8 (0.48) CYP2C8CYP3A4KCNH2NR1I2CNR2

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 CYP2C8 168/4885CYP3A4 230/4885KCNH2 3450/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 168/4885CYP3A4 230/4885KCNH2 3450/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 168/4885CYP3A4 230/4885KCNH2 3450/4885

“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.