SCHEMBL4879200

SCHEMBL4879200

COC(=O)c1ccc2[nH]c(C(=O)O)cc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.45
XDH P47989 2/20 0.43
SMAD3 P84022 1/20 0.43
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PDPK1 O15530 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.41
DAO P14920 1/20 0.41
SRD5A2 P31213 1/20 0.41
MAPK1 P28482 3/20 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
SCHEMBL34471351 0.82 XDH (0.46) XDHKDM4EHSD17B10HPGDALDH1A1
SCHEMBL15567755 0.80 GABRP (0.39) XDHKDM4EHSD17B10HPGDALDH1A1
SCHEMBL2107849 0.79 PIN1 (0.47) PIN1SMAD3KDM4EHSD17B10HPGD
SCHEMBL30310720 0.79 PIN1 (0.47) PIN1SMAD3KDM4EHSD17B10HPGD
SCHEMBL34472258 0.78 XDH (0.42) XDHKDM4EHSD17B10HPGDALDH1A1
SCHEMBL25219154 0.76 PIN1 (0.56) PIN1SMAD3KDM4EHSD17B10HPGD
SCHEMBL9974594 0.75 XDH (0.47) XDHKDM4EHSD17B10HPGDALDH1A1
SCHEMBL3754482 0.75 XDH (0.47) XDHKDM4EHSD17B10HPGDALDH1A1
SCHEMBL2105708 0.73 SMAD3 (0.49) PIN1SMAD3KDM4EHSD17B10HPGD
SCHEMBL29301419 0.73 KDM4E (0.56) PIN1SMAD3KDM4EHSD17B10HPGD

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-9345247-B2 Azaindole carboxylic acid amides and azaindole thiocarboxylic acid amides for use as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2016-05-24 US disclosed
US-9345247-B2 Azaindole carboxylic acid amides and azaindole thiocarboxylic acid amides for use as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2016-05-24 US disclosed
US-9345247-B2 Azaindole carboxylic acid amides and azaindole thiocarboxylic acid amides for use as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2016-05-24 US disclosed
US-20150216175-A1 AZAINDOLE CARBOXYLIC ACID AMIDES AND AZAINDOLE THIOCARBOXYLIC ACID AMIDES FOR USE AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150216175-A1 AZAINDOLE CARBOXYLIC ACID AMIDES AND AZAINDOLE THIOCARBOXYLIC ACID AMIDES FOR USE AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150216175-A1 AZAINDOLE CARBOXYLIC ACID AMIDES AND AZAINDOLE THIOCARBOXYLIC ACID AMIDES FOR USE AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
EP-2885301-A1 AZAINDOLE CARBOXYLIC ACID AMIDES AND AZAINDOLE THIOCARBOXYLIC ACID AMIDES FOR USE AS INSECTICIDES AND ACARICIDES Bayer CropScience AG (DE) 2015-06-24 EP disclosed
CN-104718206-A Azaindole carboxylic acid amides and azaindole thiocarboxylic acid amides for use as insecticides and acaricides BAYER CROPSCIENCE AG 2015-06-17 CN disclosed
EP-1636226-B1 Azaindole derivatives as Factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2014-10-15 EP disclosed
WO-2014026984-A1 AZAINDOLE CARBOXYLIC ACID AMIDES AND AZAINDOLE THIOCARBOXYLIC ACID AMIDES FOR USE AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2014-02-20 WO disclosed
US-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-13 US disclosed
US-7317027-B2 1-substituted 2-carboxamide derivatives of fused ring pyrroles, especially pyrrolo[2,3-b]pyridines and pyrrolo[3,2-b]pyridines, e.g., 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
EP-1636226-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
US-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND (DE) 2005-01-13 US disclosed
WO-2004101563-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
EP-1479680-A1 Azaindole derivatives as Factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP 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 (3 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-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors F12, F5, F11 PIN1 3239/4885XDH 45/4885SMAD3 1376/4885
US-20150216175-A1 AZAINDOLE CARBOXYLIC ACID AMIDES AND AZAINDOLE THIOCARBOXYLIC ACID AMIDES FOR USE AS INSECTICIDES AND ACARICIDES AADAC, NAT1, ACACA PIN1 1404/4885XDH 382/4885SMAD3 3247/4885
US-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors F12, F5, F11 PIN1 2277/4885XDH 30/4885SMAD3 902/4885

“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.