SCHEMBL666322

SCHEMBL666322

CNC(=O)c1c(-c2ccc(F)cc2)nn2ncc(-c3cc(C(=O)O)c(OC)cc3C)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
SCN9A Q15858 8/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
ABL1 P00519 2/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
BTK Q06187 1/20 0.33
MAP3K5 Q99683 1/20 0.33
PRKAB2 O43741 1/20 0.33
CSF1R P07333 1/20 0.33
LYN P07948 1/20 0.33
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33
PRKAG1 P54619 1/20 0.33
SIK1 P57059 1/20 0.33
PRKAA1 Q13131 1/20 0.33
SIK2 Q9H0K1 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
SCHEMBL666608 0.93 ALDH1A1 (0.36) SCN9AGRIN1GRIN2BROCK2ROCK1
SCHEMBL666697 0.86 CYP2C8 (0.44) ROCK2ROCK1ABL1BTK
SCHEMBL666874 0.84 CYP2C8 (0.46) ABL1
SCHEMBL1934770 0.78 CSNK1D (0.37) DHODHROCK2ROCK1CSNK1DCSNK1E
SCHEMBL668075 0.77 RIPK2 (0.33) SCN9A
SCHEMBL667045 0.73 CYP2C8 (0.59) ROCK2ROCK1ABL1
SCHEMBL2409322 0.72 CYP2C8 (0.38)
SCHEMBL143697 0.71 CYP2C8 (0.55)
SCHEMBL144688 0.69 CYP2C8 (0.53)
SCHEMBL1936681 0.67 CYP2C8 (0.40) ABL1

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 DHODH 925/4885SCN9A 4364/4885GRIN1 4604/4885

“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.