SCHEMBL4701290

SCHEMBL4701290

N#Cc1cccc(-c2nn[nH]n2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.60
IDO1 P14902 3/20 0.58
CLK4 Q9HAZ1 1/20 0.57
ALDH1A1 P00352 2/20 0.57
ADH5 P11766 1/20 0.48
TDP2 O95551 1/20 0.48
MAPT P10636 1/20 0.48
CYP2A6 P11509 1/20 0.47
XDH P47989 1/20 0.47
NOTUM Q6P988 1/20 0.46
MAOB P27338 1/20 0.46
HPGDS O60760 1/20 0.46
MYC P01106 1/20 0.46

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
SCHEMBL29637663 0.92 GP6 (0.59) GP6IDO1CLK4ALDH1A1ADH5
SCHEMBL9985391 0.79 ADH5 (0.67) ALDH1A1ADH5XDHMYC
SCHEMBL2476819 0.76 CLK4 (0.71) IDO1CLK4ALDH1A1MAPTNOTUM
Water SCHEMBL27897356 0.76 GP6 (0.64) GP6IDO1ALDH1A1ADH5MAPT
SCHEMBL25378122 0.75 GP6 (1.00) GP6IDO1ALDH1A1ADH5MAPT
SCHEMBL11938358 0.74 CLK4 (0.69) IDO1CLK4ALDH1A1MAPTNOTUM
SCHEMBL1628598 0.74 GP6 (0.66) GP6IDO1ALDH1A1ADH5MAPT
SCHEMBL21346024 0.74 GP6 (0.66) GP6IDO1ALDH1A1ADH5MAPT
SCHEMBL788085 0.74 GP6 (0.66) GP6IDO1ALDH1A1ADH5MAPT
SCHEMBL12367 0.74 GP6 (0.66) GP6IDO1ALDH1A1ADH5MAPT

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
EP-1434773-B1 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2008-05-21 EP disclosed
US-7253190-B2 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 MERCK & CO., INC. (US) 2007-08-07 US disclosed
EP-1434773-A4 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-01-12 EP disclosed
US-20040186295-A1 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 MERCK SHARP & DOHME LLC 2004-09-23 US disclosed
EP-1434773-A2 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-07-07 EP disclosed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO disclosed
WO-2003029210-A2 HETEROARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO. INC. (US) 2003-04-10 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-20040186295-A1 Heteroaryl substituted tetrazole modulators of metabotrophic glutamate receptor-5 GRM5, GRM1, GRIK5 GP6 1362/4885IDO1 4157/4885CLK4 908/4885

“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.