SCHEMBL5738714

SCHEMBL5738714

Cc1ccc2[nH]c(CN)nc2c1C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 1/20 0.45
▸ OPRM1 P35372 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PARP14 Q460N5 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ PARP11 Q9NR21 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ CACNA1H O95180 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ HRH4 Q9H3N8 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
SCHEMBL9847093 0.84 CBFB (0.46) CBFBOPRM1EGLN1ADAMTS5NPC1
SCHEMBL4069917 0.82 CBFB (0.45) CBFBOPRM1EGLN1ADAMTS5NPC1
SCHEMBL23227712 0.82 CBFB (0.45) CBFBOPRM1EGLN1ADAMTS5NPC1
SCHEMBL6755343 0.81 CBFB (0.44) CBFBOPRM1EGLN1ADAMTS5NPC1
SCHEMBL6757251 0.81 CBFB (0.44) CBFBOPRM1EGLN1ADAMTS5NPC1
SCHEMBL6756153 0.79 KDM4E (0.44) CBFBOPRM1EGLN1ADAMTS5NPC1
SCHEMBL7409334 0.79 MGAM (0.49) CBFBALDH1A1GAA
SCHEMBL6759191 0.78 GAA (0.54) CBFBNPC1RAB9AALDH1A1GAA
SCHEMBL6756137 0.78 CBFB (0.42) CBFBOPRM1ADAMTS5ALDH1A1
Hydrochloric Acid SCHEMBL7416048 0.77 MGAM (0.47) CBFBALDH1A1GAA

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-1401836-B1 IMIDAZO¬1,2-A|PYRIDINE DERIVATIVES FOR THE PROPHYLAXIS AND TREATMENT OF HERPES VIRAL INFECTIONS SMITHKLINE BEECHAM CORP (US) 2006-08-23 — — EP disclosed
US-20060167252-A1 Imidazo[1,2-a]pyridine derivatives for treatment of herpes viral infections GUDMUNDSSON KRISTJAN 2006-07-27 — — US disclosed
EP-1432712-B1 IMIDAZO-PYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HERPES VIRAL INFECTION SMITHKLINE BEECHAM CORP (US) 2006-05-17 — — EP disclosed
EP-1176959-B1 NOVEL PROLINES AS ANTIMICROBIAL AGENTS MERCK & CO INC (US) 2006-03-08 — — EP disclosed
US-6579894-B2 Bactericides, fungicides MERCK & CO., INC. 2003-06-17 — — US disclosed
US-20030013724-A1 Novel prolines as antimicrobial agents HAMMOND MILTON L (US) 2003-01-16 — — US disclosed
EP-1176959-A4 NOVEL PROLINES AS ANTIMICROBIAL AGENTS MERCK & CO INC (US) 2002-10-09 — — EP disclosed
US-6417217-B1 TREATING INFECTIONS WITH HETEROCYCLIC MICROBIOCIDES THIS INVENTION RELATES TO THE FIELD OF TRANSFER RIBONUCLEIC ACID (TRNA) SYNTHETASE INHIBITORS, THEIR PREPARATION AND THEIR USE AS ANTIMICROBIAL ADMINISTERING TO THE SUBJECT A MERCK & CO., INC. 2002-07-09 — — US disclosed
EP-1176959-A1 NOVEL PROLINES AS ANTIMICROBIAL AGENTS Merck & Co., Inc. (US) 2002-02-06 — — EP disclosed
US-6333344-B1 ENZYME INHIBITORS AND BACTERICIDES MERCK & CO. 2001-12-25 — — US disclosed
WO-2000066119-A1 NOVEL PROLINES AS ANTIMICROBIAL AGENTS MERCK & CO., INC. (US) 2000-11-09 — — 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-20030013724-A1 Novel prolines as antimicrobial agents AARS1, EPRS1, TRMT1 CBFB 2979/4885OPRM1 679/4885EGLN1 780/4885
US-20060167252-A1 Imidazo[1,2-a]pyridine derivatives for treatment of herpes viral infections IRF3, IFNAR1, IL2 CBFB 829/4885OPRM1 3695/4885EGLN1 1216/4885

“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.

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