Sugi Predict

Sugi Predict / Compounds / SCHEMBL4947432

SCHEMBL4947432

SCHEMBL4947432

Cc1cc(C#N)cn2cc(-c3ccc(Br)o3)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.34
▸ NPC1 O15118 6/20 0.34
▸ RAB9A P51151 6/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ TP53 P04637 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ GRM5 P41594 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL4947258 0.84 MAPKAPK2 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6321803 0.83 NPC1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6321806 0.81 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4951200 0.76 APP (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4952276 0.75 CTSS (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14046618 0.75 NPC1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL25204952 0.72 GRM5 (0.48) ALDH1A1KDM4EMEN1KMT2AGRM5
SCHEMBL4952765 0.70 APP (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4947838 0.70 ALDH1A3 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4951208 0.67 ALDH1A3 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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 ALDH1A1 1820/4885NPC1 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.