SCHEMBL4180199

SCHEMBL4180199

Ic1cccc(-c2nn[nH]n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 2/20 0.66
IDO1 P14902 1/20 0.64
ALDH1A1 P00352 3/20 0.62
METAP2 P50579 1/20 0.54
ADH5 P11766 1/20 0.53
CYP2A6 P11509 1/20 0.51
MAPT P10636 2/20 0.51
HPGDS O60760 1/20 0.50
XDH P47989 1/20 0.50
SLC22A12 Q96S37 1/20 0.48
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RPA1 P27694 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL12818241 0.91 GP6 (0.65) GP6IDO1ALDH1A1METAP2ADH5
SCHEMBL25378122 0.79 GP6 (1.00) GP6IDO1ALDH1A1ADH5CYP2A6
SCHEMBL4258013 0.78 GP6 (0.66) GP6IDO1ALDH1A1METAP2ADH5
SCHEMBL788085 0.78 GP6 (0.66) GP6IDO1ALDH1A1METAP2ADH5
SCHEMBL12367 0.78 GP6 (0.66) GP6IDO1ALDH1A1METAP2ADH5
SCHEMBL2896088 0.78 IDO1 (1.00) GP6IDO1ALDH1A1ADH5CYP2A6
SCHEMBL1628598 0.78 GP6 (0.66) GP6IDO1ALDH1A1METAP2ADH5
SCHEMBL3109571 0.78 GP6 (0.66) GP6IDO1ALDH1A1ADH5CYP2A6
SCHEMBL21346024 0.78 GP6 (0.66) GP6IDO1ALDH1A1ADH5CYP2A6
SCHEMBL2646724 0.78 GP6 (0.66) GP6IDO1ALDH1A1ADH5CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137637-A1 Tetrazolyl-Methylene Amino Acid Derivatives PFIZER INC. (US) 2009-05-28 US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
CN-100379415-C Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2008-04-09 CN disclosed
EP-1828162-A1 TETRAZOLYL-METHYLENE AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2007-09-05 EP disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
EP-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
WO-2006061706-A1 TETRAZOLYL-METHYLENE AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2006-06-15 WO disclosed
CN-1674892-A Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-09-28 CN disclosed
EP-1536784-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2004-03-11 US disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed
WO-2004014366-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (4 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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP2, MMP3 GP6 951/4885IDO1 255/4885ALDH1A1 416/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 GP6 1150/4885IDO1 2254/4885ALDH1A1 3321/4885
US-20090137637-A1 Tetrazolyl-Methylene Amino Acid Derivatives MMP13, MMP11, MMP3 GP6 685/4885IDO1 437/4885ALDH1A1 395/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 GP6 485/4885IDO1 606/4885ALDH1A1 1358/4885

“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.