SCHEMBL6667541

SCHEMBL6667541

CNC(=O)c1ccc(-c2ccc(C#N)cc2)c(CBr)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.46
MAP4K4 O95819 3/20 0.45
MINK1 Q8N4C8 2/20 0.45
TNIK Q9UKE5 2/20 0.45
EGLN2 Q96KS0 1/20 0.44
GSK3B P49841 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
XDH P47989 1/20 0.40
KDM1A O60341 3/20 0.39
USP30 Q70CQ3 1/20 0.39
TRPA1 O75762 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL6925340 0.85 MAP4K4 (0.45) MAP4K4MINK1TNIKEGLN2GSK3B
SCHEMBL1131431 0.83 SLC6A2 (0.46) GSK3BKMT2A
SCHEMBL6668052 0.81 EGLN1 (0.51) EGLN1MAP4K4MINK1TNIKEGLN2
SCHEMBL19230093 0.77 DEGS1 (0.52) EGLN1EGLN2MEN1KMT2AXDH
SCHEMBL1417979 0.75 HDAC2 (0.57) EGLN2GSK3BMEN1KMT2AHDAC6
SCHEMBL6827568 0.72 SLC22A12 (0.54) MAP4K4EGLN2GSK3BXDHKDM1A
SCHEMBL24023216 0.72 PLK1 (0.44) MEN1KMT2AROCK2ROCK1HDAC6
SCHEMBL1132139 0.71 SLC6A2 (0.48) KMT2AROCK2ROCK1
SCHEMBL28787158 0.71 EGFR (0.52) MEN1KMT2AXDHROCK2
SCHEMBL6825145 0.69 EGLN2 (0.42) MAP4K4MINK1TNIKEGLN2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429759-A4 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6803374-B2 INHIBIT THE RNA-DEPENDENT RNA POLYMERASE (RDRP) ENCODED BY HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
EP-1429759-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS Bristol-Myers Squibb Company (US) 2004-06-23 EP disclosed
US-20040067976-A1 Compounds useful for treating Hepatitis C virus PRIESTLEY ELDON SCOTT (US) 2004-04-08 US disclosed
US-20030134853-A1 Compounds useful for treating hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2003-07-17 US disclosed
WO-2003026587-A2 COMPOUNDS USEFUL FOR TREATING HEPATITUS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 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 (2 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-20040067976-A1 Compounds useful for treating Hepatitis C virus OAT, HAVCR2, GOT1 EGLN1 574/4885MAP4K4 4022/4885MINK1 2908/4885
US-20030134853-A1 Compounds useful for treating hepatitis C virus OAT, HAVCR2, GOT1 EGLN1 574/4885MAP4K4 4022/4885MINK1 2908/4885

“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.