SCHEMBL667380

SCHEMBL667380

CNC(=O)c1c(-c2ccc(F)cc2)nn2nccc(-c3cc(C(=O)NC4(c5ccccc5)CC4)ccc3C)c12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 6/20 0.59
CYP3A4 P08684 5/20 0.59
KCNH2 Q12809 3/20 0.52
NR1I2 O75469 1/20 0.51
MAPK14 Q16539 3/20 0.37
DGAT2 Q96PD7 1/20 0.36
TTK P33981 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
SCD5 Q86SK9 1/20 0.35
IDO1 P14902 2/20 0.35

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
SCHEMBL667483 0.85 CYP2C8 (0.46) CYP2C8CYP3A4KCNH2NR1I2MAPK14
SCHEMBL1937117 0.85 CYP2C8 (0.57) CYP2C8CYP3A4KCNH2NR1I2MAPK14
SCHEMBL667045 0.85 CYP2C8 (0.59) CYP2C8CYP3A4KCNH2NR1I2MAPK14
SCHEMBL1934988 0.81 CYP2C8 (0.57) CYP2C8CYP3A4KCNH2NR1I2MAPK14
SCHEMBL9911902 0.81 CYP2C8 (0.62) CYP2C8CYP3A4KCNH2NR1I2MAPK14
SCHEMBL2464836 0.81 CYP2C8 (0.60) CYP2C8CYP3A4KCNH2NR1I2MAPK14
SCHEMBL2464955 0.81 CYP2C8 (0.60) CYP2C8CYP3A4KCNH2NR1I2MAPK14
SCHEMBL12187969 0.79 CYP2C8 (0.56) CYP2C8CYP3A4KCNH2NR1I2MAPK14
SCHEMBL13241638 0.78 CYP2C8 (0.59) CYP2C8CYP3A4KCNH2NR1I2MAPK14
SCHEMBL1934831 0.78 CYP2C8 (0.61) CYP2C8CYP3A4KCNH2NR1I2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539340-B1 PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-08-27 EP disclosed
EP-2539340-B1 PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-08-27 EP disclosed
EP-2539340-A1 PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-02 EP disclosed
US-8324212-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-8324212-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-8324212-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20120046294-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-02-23 US disclosed
US-20120046294-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-02-23 US disclosed
US-20120046294-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-02-23 US disclosed
WO-2011106340-A1 PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-01 WO disclosed
WO-2011106340-A1 PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-01 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-20120046294-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.