SCHEMBL4949835

SCHEMBL4949835

N=C(N)c1ccc(-c2ccc(-c3cn4cc(C(=N)N)ccc4n3)o2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 11/20 0.58
▸ PRMT1 Q99873 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ TOP1 P11387 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CASP1 P29466 1/20 0.58
▸ CASP7 P55210 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ TOP2A P11388 1/20 0.56
▸ TOP2B Q02880 1/20 0.56
▸ CHEK1 O14757 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ NTRK1 P04629 1/20 0.51

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 SCHEMBL4951708 0.93 NQO2 (0.64) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL4951218 0.83 ALDH1A1 (0.53) ALDH1A1
SCHEMBL4951846 0.82 CHEK1 (0.44) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL4952348 0.81 ALDH1A1 (0.44) NQO2PRMT1ALDH1A1TOP1HPGD
Hydrochloric Acid SCHEMBL4952254 0.80 ALDH1A1 (0.43) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL4947957 0.79 NQO2 (0.51) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL14028698 0.78 CHEK1 (0.46) NQO2PRMT1ALDH1A1TOP1HPGD
SCHEMBL2128582 0.77 ALDH1A3 (0.57) ALDH1A1HPGDDYRK1A
Acetic Acid SCHEMBL4952379 0.76 ALDH1A1 (0.55) NQO2ALDH1A1HPGD
SCHEMBL4954128 0.76 NR4A2 (0.54) ALDH1A1DYRK1A

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 10 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
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
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 NQO2 1226/4885PRMT1 326/4885ALDH1A1 1820/4885

“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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