SCHEMBL6491640

SCHEMBL6491640

CCOC(=O)C(=O)c1ccncc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.42
NAMPT P43490 2/20 0.40
ATR Q13535 1/20 0.39
KDM4C Q9H3R0 4/20 0.39
KDM6B O15054 3/20 0.39
PDE5A O76074 2/20 0.38
PDE4A P27815 2/20 0.38
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE1C Q14123 2/20 0.38
PDE3A Q14432 2/20 0.38
KCNQ4 P56696 2/20 0.38
KCNQ5 Q9NR82 2/20 0.38
TP53 P04637 1/20 0.37
MAP4K1 Q92918 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL30132796 1.00 CYP17A1 (0.42) CYP17A1NAMPTATRKDM4CKDM6B
SCHEMBL5484930 0.90 CYP17A1 (0.42) CYP17A1NAMPTATRTP53MAP4K1
SCHEMBL4254113 0.85 TSHR (0.43) KDM4CKDM6BTP53RAB9AKDM4D
SCHEMBL535637 0.80 KDM4C (0.58) CYP17A1NAMPTKDM4CKDM6BKDM4D
SCHEMBL1715214 0.79 ATR (0.56) CYP17A1NAMPTATRKDM4CPDE5A
SCHEMBL14363149 0.79 CYP1A2 (0.51) KCNQ4KCNQ5
SCHEMBL12018154 0.78 CYP17A1 (0.48) CYP17A1NAMPTATRKDM4CKDM6B
SCHEMBL30601022 0.78 CYP17A1 (0.48) CYP17A1NAMPTATRKDM4CKDM6B
SCHEMBL555073 0.77 NAMPT (0.48) CYP17A1NAMPTATRMAP4K1RAB9A
SCHEMBL28981599 0.77 ALDH1A1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 US disclosed
CN-115485271-A Novel compounds as inhibitors of poly (ADP-ribose) polymerase (PARP) 理森制药股份公司 2022-12-16 CN disclosed
US-6844342-B2 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-18 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
EP-1343499-A4 HETEROCYCLIC SUBSTITUTED 2-METHYL-BENZIMIDAZOLE ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-05-06 EP disclosed
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents YU KUO-LONG (US) 2004-04-08 US disclosed
EP-1343499-A2 HETEROCYCLIC SUBSTITUTED 2-METHYL-BENZIMIDAZOLE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
WO-2002062290-A2 HETEROCYCLIC SUBSTITUTED 2-METHYL-BENZIMIDAZOLE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed
US-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2002-07-25 US 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 (3 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-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 CYP17A1 4630/4885NAMPT 1277/4885ATR 1584/4885
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 CYP17A1 4630/4885NAMPT 1277/4885ATR 1584/4885
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 CYP17A1 3724/4885NAMPT 318/4885ATR 806/4885

“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.