SCHEMBL3212977

SCHEMBL3212977

c1cn2c3c(sc2n1)COCC3

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.35
PDK1 Q15118 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
IDO1 P14902 2/20 0.31
BTK Q06187 1/20 0.31
PTPRC P08575 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPRB P23467 1/20 0.31
PTPRE P23469 1/20 0.31

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
SCHEMBL3214180 0.77 MAPT (0.42) IDO1
SCHEMBL5073180 0.71 NPC1 (0.36) PDK1PTPRCPTPN2PTPN1PTPRB
SCHEMBL13455807 0.71 HDAC6 (0.36) PDK1HRH3
SCHEMBL3593173 0.71 NPC1 (0.34) PDK1
SCHEMBL11357813 0.66 GRM5 (0.41)
SCHEMBL5044838 0.57 IDO1 (0.34) IDO1
SCHEMBL5456315 0.55
SCHEMBL3459509 0.55 IDO1 (0.51) LIMK1IDO1
SCHEMBL5044966 0.55 IDO1 (0.36) IDO1
SCHEMBL25120514 0.55 HRH3 (0.34) HRH3

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 16 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
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 US 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-1909786-A2 TRICYCLIC 6-ALKYLIDENE-PENEM ß-LACTAMASE INHIBITORS AND ß-LACTAM ANTIBIOTIC COMBINATION: A BROAD SPECTRUM ANTIBIOTIC Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP 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
US-20070232582-A1 4-substituted or unsubtituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors WYETH HOLDINGS CORPORATION (US) 2007-10-04 US disclosed
US-7229983-B2 4-substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as β-lactamase inhibitors WYETH HOLDINGS CORPORATION (US) 2007-06-12 US disclosed
WO-2007030166-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D β-LACTAMASES INHIBITORS WYETH (US) 2007-03-15 WO disclosed
WO-2007027323-A2 TRICYCLIC 6-ALKYLIDENE-PENEM β-LACTAMASE INHIBITORS AND β-LACTAM ANTIBIOTIC COMBINATION: A BROAD SPECTRUM ANTIBIOTIC WYETH (US) 2007-03-08 WO disclosed
US-20070027130-A1 Tricyclic 6-alkylidene-penem beta-lactamase inhibitors and beta-lactam antibiotic combination: a broad spectrum antibiotic WYETH (US) 2007-02-01 US 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
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
US-20040214812-A1 4-Substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors WYETH HOLDINGS CORPORATION (US) 2004-10-28 US disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE INHIBITORS WYETH (US) 2003-11-13 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 (7 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-20070027130-A1 Tricyclic 6-alkylidene-penem beta-lactamase inhibitors and beta-lactam antibiotic combination: a broad spectrum antibiotic MGAM, B2M, PEPD LIMK1 4397/4885PDK1 3971/4885HRH3 4012/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP LIMK1 3646/4885PDK1 3331/4885HRH3 3329/4885
US-20040214812-A1 4-Substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors DDC, AADAC, ALDH7A1 LIMK1 3444/4885PDK1 779/4885HRH3 322/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP LIMK1 3646/4885PDK1 3331/4885HRH3 3329/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM LIMK1 4041/4885PDK1 1743/4885HRH3 2532/4885
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors MGAM, CYP2C18, BCAT2 LIMK1 3586/4885PDK1 604/4885HRH3 3104/4885
US-20070232582-A1 4-substituted or unsubtituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors DDC, AADAC, ALDH7A1 LIMK1 3087/4885PDK1 922/4885HRH3 321/4885

“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.