Sugi Predict

Sugi Predict / Compounds / SCHEMBL8279014

SCHEMBL8279014

SCHEMBL8279014

O=C1NCC2(CCC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 4/20 0.40
▸ DBF4 Q9UBU7 4/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DGAT1 O75907 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ PARP11 Q9NR21 1/20 0.38
▸ CCR5 P51681 1/20 0.37
▸ MAPKAPK2 P49137 2/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CALCRL Q16602 1/20 0.35
▸ CASP3 P42574 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ CASP6 P55212 2/20 0.34

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
SCHEMBL29556824 1.00 CDC7 (0.40) CDC7DBF4CA12CA9ALDH1A1
SCHEMBL30498720 0.96 CDC7 (0.43) CDC7DBF4CA12CA9ALDH1A1
SCHEMBL20659670 0.93 CA12 (0.42) CDC7DBF4CA12CA9ALDH1A1
SCHEMBL29548327 0.93 CA12 (0.42) CDC7DBF4CA12CA9ALDH1A1
SCHEMBL1203798 0.86 MAPKAPK2 (0.45) CA12CA9DGAT1PDPK1PARP1
SCHEMBL1203632 0.85 DGAT1 (0.38) CDC7DBF4CA12CA9ALDH1A1
SCHEMBL29556516 0.85 PARP1 (0.40) CDC7DBF4CA12CA9ALDH1A1
SCHEMBL12568556 0.83 KDM4E (0.40) CA12CA9ALDH1A1GSK3BDGAT1
SCHEMBL12568557 0.82 SIGMAR1 (0.50) CA12CA9DGAT1PDPK1PARP1
SCHEMBL12513055 0.82 DGAT1 (0.41) CA12CA9ALDH1A1POLBGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112125886-B Tricyclic compounds as PRMT5 inhibitors and application thereof 南京圣和药物研发有限公司 2023-06-23 — — CN disclosed
WO-2022206964-A1 PRMT5 INHIBITOR AND USE THEREOF 海思科医药集团股份有限公司 2022-10-06 — — WO disclosed
WO-2020259478-A1 TRICYCLIC COMPOUND AS PRMT5 INHIBITOR AND APPLICATION THEREOF 南京圣和药物研发有限公司 2020-12-30 — — WO disclosed
EP-1680137-B1 Macrocyclic carboxylic acid and acylsulfonamide compound as inhibitor of HCV replication HOFFMANN LA ROCHE (CH) 2012-11-21 — — EP disclosed
EP-2407470-A2 Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication F. Hoffmann-La Roche Ltd. (CH) 2012-01-18 — — EP disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 — — US disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 — — US disclosed
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 — — US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 — — US disclosed
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 — — US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 — — US disclosed
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 — — US disclosed
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 — — US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 — — US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 — — US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 — — WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 — — 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 (4 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CDC7 3000/4885DBF4 2439/4885CA12 4519/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CDC7 3000/4885DBF4 2439/4885CA12 4519/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CDC7 3000/4885DBF4 2439/4885CA12 4519/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 CDC7 3000/4885DBF4 2439/4885CA12 4519/4885

“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.