SCHEMBL668433

SCHEMBL668433

COC(=O)c1cc(-c2ccnn3nc(-c4ccc(F)cc4)c(C(=O)N(C)C(=O)OC(C)(C)C)c23)c(C)cc1OC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL15966871 0.88
SCHEMBL668075 0.85 RIPK2 (0.33) LMNAALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL667049 0.78 DHODH (0.32)
SCHEMBL2466892 0.78 CSNK2A2 (0.32)
SCHEMBL2464907 0.73 RIPK1 (0.34) ALDH1A1HPGDSMN1; SMN2TSHRCASP1
SCHEMBL666608 0.69 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2TSHRCASP1
SCHEMBL1936285 0.67 GPBAR1 (0.33)
SCHEMBL1935054 0.65 GPBAR1 (0.33) SMN1; SMN2
SCHEMBL2465650 0.64 CSNK1D (0.32)
SCHEMBL1936629 0.63 MAPK14 (0.35) LMNA

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 LMNA 2677/4885ALDH1A1 239/4885HPGD 1393/4885

“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.