SCHEMBL145125

SCHEMBL145125

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccc6ccncc6n5)CC4)ccc3C)cc12

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 6/20 0.75
CYP3A4 P08684 5/20 0.75
KCNH2 Q12809 3/20 0.72
NR1I2 O75469 1/20 0.72
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL143691 0.94 CYP2C8 (0.75) CYP2C8CYP3A4KCNH2NR1I2LCK
SCHEMBL143635 0.90 CYP2C8 (0.72) CYP2C8CYP3A4KCNH2NR1I2LCK
SCHEMBL12330955 0.89 CYP2C8 (0.59) CYP2C8CYP3A4KCNH2NR1I2LCK
SCHEMBL120828 0.89 CYP2C8 (0.77) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL2140217 0.88 CYP2C8 (0.82) CYP2C8CYP3A4KCNH2NR1I2MAPK14
SCHEMBL120717 0.88 CYP2C8 (0.79) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL143480 0.87 CYP2C8 (0.77) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL2141959 0.86 CYP2C8 (0.82) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL2139737 0.86 CYP2C8 (1.00) CYP2C8CYP3A4KCNH2NR1I2
SCHEMBL146317 0.86 CYP2C8 (0.79) CYP2C8CYP3A4KCNH2NR1I2

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-2545051-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-04-19 EP claimed
EP-2545051-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP claimed
US-8354410-B2 Compounds for the treatment of hepatitis C BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-01-15 US claimed
US-20120059019-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US claimed
WO-2011112769-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO claimed
EP-2545051-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-04-19 EP disclosed
EP-2545051-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-04-19 EP disclosed
EP-2545051-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
US-8354410-B2 Compounds for the treatment of hepatitis C BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-8354410-B2 Compounds for the treatment of hepatitis C BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-01-15 US disclosed
US-20120059019-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
US-20120059019-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
WO-2011112769-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO 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 (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-20120059019-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP2C8 85/4885CYP3A4 299/4885KCNH2 3814/4885

“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.