SCHEMBL5790871

SCHEMBL5790871

O=Cc1ccc(-c2cc(-c3c(-c4ccccn4)nc4ccccn34)ccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
AKT1 P31749 3/20 0.41
AKT2 P31751 3/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 4/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GFER P55789 1/20 0.41
TGFBR1 P36897 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
METAP1 P53582 1/20 0.40

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
SCHEMBL5791351 0.89 TGFBR1 (0.44) ALDH1A1TGFBR1NPC1RAB9A
SCHEMBL5789074 0.85 IGF1R (0.43) AKT1AKT2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5788291 0.85 MAPT (0.48) PTGS2AKT1AKT2ALDH1A1GAA
SCHEMBL5790886 0.85 USP7 (0.48) PTGS2AKT1AKT2ALDH1A1GAA
SCHEMBL5786829 0.83 NR1I3 (0.41) ALDH1A1TGFBR1NR1I3CSNK1DCSNK1E
SCHEMBL5790985 0.83 TGFBR1 (0.59) PTGS2ALDH1A1GAAMAPTHTT
SCHEMBL5787865 0.83 BRD4 (0.46) PTGS2ALDH1A1GAAMAPTHTT
SCHEMBL5789465 0.83 NPC1 (0.51) PTGS2ALDH1A1GAAMAPTHTT
SCHEMBL25767630 0.82 PTGS2 (0.49) PTGS2AKT1AKT2ALDH1A1GAA
SCHEMBL5791778 0.81 CCNE1 (0.48) PTGS2ALDH1A1GAAMAPTHTT

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 2 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 disclosed
US-20050234029-A1 Compounds DODIC NERINA 2005-10-20 US 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-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 PTGS2 3105/4885AKT1 331/4885AKT2 287/4885

“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.