Sugi Predict

Sugi Predict / Compounds / SCHEMBL4947258

SCHEMBL4947258

SCHEMBL4947258

Cc1cc(C#N)cn2cc(-c3ccc(-c4ccc(C#N)cc4)o3)nc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 12/20 0.38
▸ APP P05067 1/20 0.38
▸ ALDH1A3 P47895 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL4947432 0.84 ALDH1A1 (0.34) APPGAANPC1ALDH1A1RAB9A
SCHEMBL4947838 0.79 ALDH1A3 (0.48) APPALDH1A3GAANPC1ALDH1A1
SCHEMBL4951160 0.78 APP (0.56) MAPKAPK2APPALDH1A3NPC1ALDH1A1
SCHEMBL4951208 0.77 ALDH1A3 (0.53) APPALDH1A3GAANPC1ALDH1A1
SCHEMBL14046618 0.77 NPC1 (0.56) APPALDH1A3GAANPC1ALDH1A1
SCHEMBL4952765 0.74 APP (0.48) APPALDH1A3GAANPC1ALDH1A1
SCHEMBL4952276 0.72 CTSS (0.43) APPALDH1A3GAANPC1ALDH1A1
SCHEMBL4947957 0.71 NQO2 (0.51) ALDH1A1
SCHEMBL25204952 0.71 GRM5 (0.48) ALDH1A1GRM5KDM4E
SCHEMBL4951988 0.70 NQO2 (0.34) GAANPC1ALDH1A1RAB9ANFKB1

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-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 MAPKAPK2 1639/4885APP 4309/4885ALDH1A3 1894/4885

“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.