SCHEMBL5789755

SCHEMBL5789755

c1ccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(N4CCOCC4)cc3)c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ GAA P10253 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ CBFB Q13951 1/20 0.44
▸ METAP1 P53582 1/20 0.44
▸ RAD51 Q06609 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ BRD9 Q9H8M2 1/20 0.43
▸ BAZ2B Q9UIF8 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ AHR P35869 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PRKDC P78527 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
SCHEMBL5787031 0.90 GAA (0.48) MAPTGAASMN1; SMN2TP53ALOX5
SCHEMBL5788659 0.89 KDM4E (0.44) MAPTGAASMN1; SMN2METAP1KDM4E
SCHEMBL5788058 0.87 TGFBR1 (0.57) GAAKDM4ESLC2A1TGFBR1
SCHEMBL5790886 0.82 USP7 (0.48) MAPTGAASMN1; SMN2TP53KDM4E
SCHEMBL5788291 0.82 MAPT (0.48) MAPTGAASMN1; SMN2TP53KDM4E
SCHEMBL25767630 0.81 PTGS2 (0.49) MAPTGAASMN1; SMN2TP53KDM4E
SCHEMBL6335287 0.79 GAA (0.49) MAPTGAASMN1; SMN2TP53KDM4E
SCHEMBL5790871 0.79 PTGS2 (0.44) MAPTGAASMN1; SMN2TP53METAP1
SCHEMBL5789465 0.79 NPC1 (0.51) MAPTGAASMN1; SMN2TP53KDM4E
SCHEMBL5805935 0.79 TGFBR1 (0.59) MAPTGAAL3MBTL1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1543003-B1 IMIDAZO¬1,2-A|PYRIDINES SMITHKLINE BEECHAM CORP (US) 2006-05-17 — — EP claimed
US-20050234029-A1 Compounds DODIC NERINA 2005-10-20 — — US claimed
EP-1543003-A2 IMIDAZO[1,2-A]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2005-06-22 — — EP claimed
WO-2004013138-A2 IMIDAZO`1,2-A!PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 — — WO claimed
EP-1543003-B1 IMIDAZO¬1,2-A|PYRIDINES SMITHKLINE BEECHAM CORP (US) 2006-05-17 — — EP disclosed
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 — — US disclosed
US-20050234029-A1 Compounds DODIC NERINA 2005-10-20 — — US disclosed
EP-1543003-A2 IMIDAZO[1,2-A]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2005-06-22 — — EP disclosed
WO-2004013138-A2 IMIDAZO`1,2-A!PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 — — 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 (2 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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK MAPT 1496/4885GAA 1784/4885SMN1; SMN2 2815/4885
US-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 MAPT 1376/4885GAA 1767/4885SMN1; SMN2 2595/4885

“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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