SCHEMBL4950301

SCHEMBL4950301

N=C(N)c1ccc(-c2ccc(-c3cn4c(n3)CCC(C(=N)N)C4)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ WDR5 P61964 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ITGB3 P05106 6/20 0.37
▸ ITGA2B P08514 6/20 0.37
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
Acetic Acid SCHEMBL4952218 0.93 ITGB3 (0.41) LMNANPC1RAB9AHTTWDR5
SCHEMBL4951689 0.91 WDR5 (0.38) LMNANPC1RAB9AHTTWDR5
SCHEMBL4947968 0.87 NQO2 (0.47) ALDH1A1
SCHEMBL14028700 0.86 WDR5 (0.50) LMNANPC1RAB9AHTTWDR5
Acetic Acid SCHEMBL4951340 0.86 NQO2 (0.40) LMNANPC1RAB9AHTTWDR5
Acetic Acid SCHEMBL4952431 0.81 NQO2 (0.53) NPC1ALDH1A1ITGB3ITGA2B
Acetic Acid SCHEMBL4952305 0.78 ITGB3 (0.41) WDR5ITGB3ITGA2B
SCHEMBL14028703 0.77 MAPK1 (0.37) LMNANPC1RAB9AHTTWDR5
SCHEMBL5311345 0.72 WDR5 (0.41) LMNANPC1RAB9AHTTWDR5
SCHEMBL463267 0.70 WDR5 (0.52) LMNANPC1RAB9AHTTWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 — — US claimed
EP-1745045-A2 NOVEL DICATIONIC IMIDAZO 1,2-a PYRIDINES AND 5,6,7,8-TE TRAHYDRO-IMIDAZO 1,2a PYRIDINES AS ANTIPROTOZOAL AGENTS The University of North Carolina at Chapel Hill (US) 2007-01-24 — — EP claimed
US-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents BOYKIN DAVID W 2005-12-22 — — US claimed
WO-2005086808-A2 NOVEL DICATIONIC IMIDAZO[1,2-a]PYRIDINES AND 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2a]PYRIDINES AS ANTIPROTOZOAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-22 — — WO claimed
US-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 — — US disclosed
EP-1745045-A2 NOVEL DICATIONIC IMIDAZO 1,2-a PYRIDINES AND 5,6,7,8-TE TRAHYDRO-IMIDAZO 1,2a PYRIDINES AS ANTIPROTOZOAL AGENTS The University of North Carolina at Chapel Hill (US) 2007-01-24 — — EP disclosed
US-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents BOYKIN DAVID W 2005-12-22 — — US disclosed
WO-2005086808-A2 NOVEL DICATIONIC IMIDAZO[1,2-a]PYRIDINES AND 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2a]PYRIDINES AS ANTIPROTOZOAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-22 — — 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-20050282853-A1 Novel dicationic imidazo[1,2-a]pyridines and 5,6,7,8,-tetrahydro-imidazo[1,2,-a]pyridines as antiprotozoal agents PBRM1, QDPR, DHPS LMNA 3659/4885NPC1 3238/4885RAB9A 498/4885

“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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