SCHEMBL6700720

SCHEMBL6700720

[CH2]Cc1ccccc1NC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ HPGD P15428 2/20 0.34
▸ LMNA P02545 3/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL27401813 0.82 GAA (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7421821 0.82 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7897640 0.82 ALDH1A1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8029769 0.81 MAPT (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13892090 0.81 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2487614 0.79 TRPV1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2002382 0.79 GAA (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10824116 0.78 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10966246 0.77 ALDH1A1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9550227 0.77 HSPA5 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-20040024000-A1 Dihydropyrimidine derivatives as cysteine protease inhibitors NAEJA PHARMACEUTICAL INC. (CA) 2004-02-05 — — US claimed
EP-1326848-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2003-07-16 — — EP claimed
WO-2002032879-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2002-04-25 — — WO claimed
US-20040024000-A1 Dihydropyrimidine derivatives as cysteine protease inhibitors NAEJA PHARMACEUTICAL INC. (CA) 2004-02-05 — — US disclosed
EP-1326848-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS Naeja Pharmaceutical Inc. (CA) 2003-07-16 — — EP disclosed
WO-2002032879-A1 DIHYDROPYRIMIDINE DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2002-04-25 — — 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-20040024000-A1 Dihydropyrimidine derivatives as cysteine protease inhibitors DPEP1, DNPEP, PEPD GRIN2D 3952/4885GRIN3B 4092/4885GRIN1 3652/4885

“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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