Sugi Predict

Sugi Predict / Compounds / SCHEMBL2929568

SCHEMBL2929568

SCHEMBL2929568

O=Cc1cn2c(cnc3ccccc32)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ GMNN O75496 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL4791437 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL10729001 0.81 KDM4E (0.43) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL16328032 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL2929504 0.76 MAP3K5 (0.42) ALDH1A1KDM4EHPGDMAPTCYP1A2
Dazoquinast SCHEMBL2110455 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL10729491 0.72 ADORA2A (0.55) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL10730849 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL13424030 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTHSD17B10
Dazoquinast SCHEMBL11368031 0.72 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL25306779 0.71 ADORA2A (0.58) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691842-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-04-06 — — US disclosed
EP-1499620-B1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH CORP (US) 2010-01-27 — — EP disclosed
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 — — EP disclosed
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-25 — — US disclosed
EP-1885358-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D ß-LACTAMASES INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-02-13 — — EP disclosed
WO-2007030166-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D β-LACTAMASES INHIBITORS WYETH (US) 2007-03-15 — — WO disclosed
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 — — US disclosed
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-04-06 — — US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 — — US disclosed
EP-1499620-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES Wyeth (US) 2005-01-26 — — EP disclosed
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS Wyeth (US) 2005-01-26 — — EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 — — US disclosed
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 — — US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 — — US disclosed
WO-2003093277-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH (US) 2003-11-13 — — WO disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE INHIBITORS WYETH (US) 2003-11-13 — — WO disclosed
US-4644002-A Imidazo[2,1-C]quinolines, useful as antiallergic agents ROUSSEL UCLAF (FR) 1987-02-17 — — US disclosed
US-4474784-A ANTIALLERGENS ROUSSEL UCLAF (FR) 1984-10-02 — — US disclosed
US-4333934-A ANTIALLERGIC ACTIVITY ROUSSEL UCLAF (FR) 1982-06-08 — — 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 (6 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 ALDH1A1 998/4885KDM4E 1977/4885HPGD 728/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP ALDH1A1 765/4885KDM4E 1243/4885HPGD 563/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP ALDH1A1 765/4885KDM4E 1243/4885HPGD 563/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM ALDH1A1 920/4885KDM4E 651/4885HPGD 397/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 ALDH1A1 998/4885KDM4E 1977/4885HPGD 728/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP ALDH1A1 646/4885KDM4E 1360/4885HPGD 594/4885

“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.