SCHEMBL9911916

SCHEMBL9911916

CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5nnc(-c6ccccc6)[nH]5)CC4)c(OC)cc3C)c(F)c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 6/20 0.35
KCNH2 Q12809 3/20 0.35
CYP3A4 P08684 5/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
NR1I2 O75469 1/20 0.32
MAP3K5 Q99683 2/20 0.31
CTSA P10619 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
PDE2A O00408 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL2997319 0.89 CYP2C8 (0.42) CYP2C8KCNH2CYP3A4AKT1AKT2
SCHEMBL2464594 0.87 CYP2C8 (0.38) CYP2C8KCNH2CYP3A4AKT1AKT2
SCHEMBL1937305 0.86 CYP2C8 (0.37) CYP2C8KCNH2CYP3A4AKT1AKT2
SCHEMBL2469426 0.85 CYP2C8 (0.48) CYP2C8KCNH2CYP3A4CSNK1DCSNK1E
SCHEMBL2991677 0.85 CYP2C8 (0.46) CYP2C8KCNH2CYP3A4CSNK1DCSNK1E
SCHEMBL2464273 0.85 CYP2C8 (0.37) CYP2C8KCNH2CYP3A4AKT1AKT2
SCHEMBL2431185 0.84 RET (0.37) CYP2C8KCNH2CSNK1DCSNK1E
SCHEMBL2464803 0.84 CYP2C8 (0.37) CYP2C8KCNH2CYP3A4CSNK1DCSNK1E
SCHEMBL2467318 0.82 BTK (0.34) CYP2C8KCNH2AKT1AKT2CSNK1D
SCHEMBL9911917 0.82 CYP2C8 (0.37) CYP2C8KCNH2CYP3A4CSNK1DCSNK1E

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 15 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-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-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 168/4885KCNH2 3450/4885CYP3A4 230/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 168/4885KCNH2 3450/4885CYP3A4 230/4885
US-20120232099-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.