SCHEMBL3217951

SCHEMBL3217951

CNC(=O)c1c(-c2ccc(F)cc2)nn2cnc(-c3cc(C(=O)NC4(c5nc(C)no5)CC4)c(OC)cc3C)c(F)c12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 6/20 0.36
KCNH2 Q12809 3/20 0.36
CYP3A4 P08684 5/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
NR1I2 O75469 1/20 0.33
CRHR1 P34998 2/20 0.32
AXL P30530 3/20 0.32
MET P08581 1/20 0.31
MERTK Q12866 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
KIT P10721 1/20 0.31

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
SCHEMBL2464803 0.91 CYP2C8 (0.37) CYP2C8KCNH2CYP3A4PDE2APDE10A
SCHEMBL9911917 0.80 CYP2C8 (0.37) CYP2C8KCNH2CYP3A4PDE2APDE10A
SCHEMBL2464594 0.80 CYP2C8 (0.38) CYP2C8KCNH2CYP3A4PDE2ANR1I2
SCHEMBL2469426 0.79 CYP2C8 (0.48) CYP2C8KCNH2CYP3A4PDE2APDE10A
SCHEMBL2464273 0.78 CYP2C8 (0.37) CYP2C8KCNH2CYP3A4PDE2APDE10A
SCHEMBL2997319 0.78 CYP2C8 (0.42) CYP2C8KCNH2CYP3A4NR1I2CSNK1D
SCHEMBL1918342 0.78 CYP2C8 (0.56) CYP2C8KCNH2CYP3A4NR1I2
SCHEMBL2991677 0.77 CYP2C8 (0.46) CYP2C8KCNH2CYP3A4NR1I2CSNK1D
SCHEMBL9911912 0.77 CYP2C8 (0.49) CYP2C8KCNH2CYP3A4NR1I2KIT
SCHEMBL1937305 0.77 CYP2C8 (0.37) CYP2C8KCNH2CYP3A4PDE2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US claimed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 168/4885KCNH2 3450/4885CYP3A4 230/4885

“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.