SCHEMBL5822709

SCHEMBL5822709

O=C(NCc1ccc2[nH]nc(CCc3ccccc3)c2c1)c1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK3 P27361 4/20 0.53
▸ MAPK1 P28482 4/20 0.53
▸ TTK P33981 2/20 0.51
▸ ITK Q08881 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ERCC1 P07992 1/20 0.45
▸ ERCC4 Q92889 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.43
▸ SYK P43405 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ ACHE P22303 1/20 0.42

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
SCHEMBL12907302 0.81 TTK (0.52) MAPK3MAPK1TTKHDAC1
SCHEMBL2557897 0.76 TTK (0.60) MAPK3MAPK1TTKITKSMN1; SMN2
SCHEMBL6780263 0.74 TRPV1 (0.50) MAPK1PPARGERCC1ERCC4EGFR
SCHEMBL12907281 0.74 MAPK1 (0.57) MAPK3MAPK1TTKITKHDAC1
SCHEMBL2924662 0.73 HDAC6 (0.74) MAPK1RAB9AEGFRHDAC6SYK
SCHEMBL6780936 0.72 NTRK1 (0.44) MAPK3MAPK1SMN1; SMN2NPC1ALDH1A1
SCHEMBL1402717 0.72 BRD4 (0.55) MAPK3MAPK1TTKITKSMN1; SMN2
SCHEMBL12907509 0.72 MAPK1 (0.71) MAPK3MAPK1TTKITKHDAC6
SCHEMBL12907294 0.72 JAK2 (0.59) MAPK3MAPK1TTKITK
SCHEMBL3422647 0.72 ROCK2 (0.62) PPARGALDH1A1RAB9AERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists ANDO KAZUO (JP) 2004-10-14 — — US claimed
EP-1615636-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER INC. (US) 2006-01-18 — — EP disclosed
WO-2004089366-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2004-10-21 — — WO disclosed
US-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists ANDO KAZUO (JP) 2004-10-14 — — US 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-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists GRIN1, GRIN2B, GRIN2A MAPK3 2709/4885MAPK1 1578/4885TTK 3983/4885

“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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