Sugi Predict

Sugi Predict / Compounds / SCHEMBL2929504

SCHEMBL2929504

SCHEMBL2929504

O=Cc1cn2c(ccc3ccccc32)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.42
▸ ALDH1A1 P00352 10/20 0.39
▸ MAPT P10636 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38
▸ P2RX7 Q99572 1/20 0.35
▸ CCR1 P32246 1/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ BRPF1 P55201 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ VDR P11473 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
SCHEMBL10730240 0.79 RAB9A (0.46) MAP3K5ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL4791437 0.76 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2929568 0.76 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30556196 0.76 ALDH1A1 (0.46) ALDH1A1MAPTCYP2C19L3MBTL1SMN1; SMN2
SCHEMBL1772736 0.73 MAP3K5 (0.42) MAP3K5ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL1772738 0.73 SMN1; SMN2 (0.49) MAP3K5ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL3487056 0.73 MAP3K5 (0.42) MAP3K5ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL10730719 0.71 PTGS1 (0.50) MAP3K5ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL4888453 0.70 MAPT (0.41) ALDH1A1MAPTP2RX7CCR1KDM4E
SCHEMBL3702111 0.70 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1SMN1; SMN2P2RX7

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 MAP3K5 2994/4885ALDH1A1 998/4885MAPT 3052/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MAP3K5 4465/4885ALDH1A1 765/4885MAPT 2034/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP MAP3K5 4465/4885ALDH1A1 765/4885MAPT 2034/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM MAP3K5 4621/4885ALDH1A1 920/4885MAPT 3913/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 MAP3K5 2994/4885ALDH1A1 998/4885MAPT 3052/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP MAP3K5 4424/4885ALDH1A1 646/4885MAPT 2074/4885

“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.