SCHEMBL5252174

SCHEMBL5252174

O=C(O)c1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
GSK3A P49840 1/20 0.44
CNR1 P21554 3/20 0.43
SERPINE1 P05121 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
AURKA O14965 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
UCHL1 P09936 2/20 0.41
DYRK1A Q13627 1/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPK14 Q16539 1/20 0.40
FTO Q9C0B1 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40

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
SCHEMBL1404572 0.88 CNR1 (0.44) CNR1SERPINE1MALT1CNR2
SCHEMBL5358142 0.88 SRD5A2 (0.49) GSK3BCNR1AURKATPX2UCHL1
SCHEMBL5355715 0.88 MAPK14 (0.50) GSK3BSERPINE1MALT1AURKATPX2
SCHEMBL5252558 0.85 SLC6A3 (0.58) GSK3BGSK3ACNR1MALT1CNR2
SCHEMBL1404554 0.85 CHRNA7 (0.45) CNR1SERPINE1MALT1CNR2
SCHEMBL5363100 0.81 GCGR (0.48) UCHL1DYRK1AALDH1A1TP53MAPK14
SCHEMBL5373926 0.77 MALT1 (0.53) CNR1SERPINE1MALT1MAPK14
SCHEMBL1404528 0.77 KDM4E (0.51) CNR1CNR2ALDH1A1
SCHEMBL1404527 0.77 CNR1 (0.44) GSK3BCNR1SERPINE1MALT1CNR2
SCHEMBL5365167 0.74 SLC6A3 (0.57) CNR1SERPINE1MALT1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558252-B1 SUBSTITUTED FURO [2,3-B]PYRIDINE DERIVATIVES MERCK & CO INC (US) 2007-10-10 EP disclosed
US-7091216-B2 Substituted furo[2,3-b]pyridine derivatives MERCK & CO., INC. (US) 2006-08-15 US disclosed
EP-1558252-A4 SUBSTITUTED FURO 2,3-B| PYRIDINE DERIVATIVES MERCK & CO INC (US) 2006-05-17 EP disclosed
US-20050272763-A1 Substituted furo[2,3-b]pyridine derivatives MERCK SHARP & DOHME CORP. 2005-12-08 US disclosed
EP-1558252-A2 SUBSTITUTED FURO 2,3-B] PYRIDINE DERIVATIVES Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004012671-A2 SUBSTITUTED FURO [2,3-B] PYRIDINE DERIVATIVES MERCK & CO., INC. (US) 2004-02-12 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 (1 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-20050272763-A1 Substituted furo[2,3-b]pyridine derivatives CNR1, CNR2, FAAH GSK3B 841/4885GSK3A 1174/4885CNR1 1/4885

“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.