SCHEMBL20568459

SCHEMBL20568459

O=C(O)c1[nH]c(-c2ccc(F)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 10/20 0.60
▸ MAPK12 P53778 10/20 0.60
▸ MAPK11 Q15759 10/20 0.60
▸ MAPK14 Q16539 10/20 0.60
▸ ALOX5 P09917 5/20 0.60
▸ TGFBR1 P36897 2/20 0.60
▸ GCGR P47871 9/20 0.54
▸ PRKD3 O94806 2/20 0.54
▸ MAP4K4 O95819 2/20 0.54
▸ FRK P42685 2/20 0.54
▸ MAPK9 P45984 2/20 0.54
▸ CSNK1A1 P48729 2/20 0.54
▸ CSNK1D P48730 2/20 0.54
▸ GSK3B P49841 2/20 0.54
▸ PTK6 Q13882 2/20 0.54
▸ CLK4 Q9HAZ1 2/20 0.54
▸ PRKD2 Q9BZL6 1/20 0.54
▸ CYP1A2 P05177 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51

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
SCHEMBL4504351 0.95 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL4721643 0.82 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL28904610 0.81 MAPK13 (0.87) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL14691114 0.80 TAAR1 (0.50) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL20567843 0.78 ALOX5 (0.63) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL14692202 0.77 PTGS2 (0.63) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL19868985 0.77 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL3760324 0.76 KDM4E (0.73) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL413667 0.76 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14ALOX5
SCHEMBL1629037 0.75 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 — — US claimed
US-11413272-B2 Inhibitors of metallo-beta-lactamases OXFORD UNIVERSITY INNOVATION LIMITED 2022-08-16 — — US disclosed
EP-3630728-B1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIV OXFORD INNOVATION LTD (GB) 2022-07-27 — — EP disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 — — US disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 — — US disclosed
EP-3630728-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 — — EP disclosed
WO-2018215799-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 — — 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-11413272-B2 Inhibitors of metallo-beta-lactamases MGAM, GAA, ALPI MAPK13 4471/4885MAPK12 4134/4885MAPK11 3836/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI MAPK13 4471/4885MAPK12 4134/4885MAPK11 3836/4885

“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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