SCHEMBL6701014

SCHEMBL6701014

COC(=O)c1cnc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.44
RPS6KB1 P23443 1/20 0.43
MAP3K11 Q16584 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41
CDK6 Q00534 1/20 0.41
MERTK Q12866 1/20 0.41
PIK3CA P42336 3/20 0.40
HPGD P15428 1/20 0.40
CYP11B2 P19099 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6668319 0.87 L3MBTL1 (0.48) MTORMAP3K11L3MBTL1PIK3CAJAK3
SCHEMBL5065691 0.83 RPS6KB1 (0.61) RPS6KB1L3MBTL1ALDH1A1ALOX15TSHR
SCHEMBL6789587 0.78 SIRT2 (0.47) ALDH1A1ALOX15HPGDSMN1; SMN2NPSR1
SCHEMBL422988 0.76 CYP11B2 (0.40) MTORRPS6KB1MAP3K11L3MBTL1ALDH1A1
SCHEMBL6644525 0.75 L3MBTL1 (0.43) L3MBTL1JAK3IDH1
SCHEMBL14382554 0.74 L3MBTL1 (0.65) RPS6KB1L3MBTL1IDH1
SCHEMBL5514113 0.73 SIRT2 (0.54) RPS6KB1L3MBTL1ALDH1A1HPGDNPSR1
SCHEMBL14382449 0.73 RPS6KB1 (0.61) RPS6KB1L3MBTL1JAK3IDH1
SCHEMBL13905185 0.73 LMNA (0.37) ALDH1A1CDK4CDK6PIK3CASMN1; SMN2
SCHEMBL14572813 0.72 CYP3A4 (0.47) L3MBTL1ALDH1A1MERTKJAK3

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 MTOR 4354/4885RPS6KB1 1818/4885MAP3K11 4175/4885
US-20030134853-A1 Compounds useful for treating hepatitis C virus OAT, HAVCR2, GOT1 MTOR 4354/4885RPS6KB1 1818/4885MAP3K11 4175/4885

“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.