SCHEMBL5789074

SCHEMBL5789074

O=Cc1ccc(-c2cc(-c3c(-c4ccc(F)c(F)c4)nc4ccccn34)ccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.43
ALDH1A1 P00352 3/20 0.42
KLK7 P49862 1/20 0.39
CSNK1D P48730 4/20 0.38
CSNK1E P49674 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK13 O15264 4/20 0.37
MAPK12 P53778 4/20 0.37
MAPK11 Q15759 4/20 0.37
MAPK14 Q16539 4/20 0.37
NR1I3 Q14994 2/20 0.37
AKT1 P31749 2/20 0.36
AKT2 P31751 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
INSR P06213 1/20 0.35

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
SCHEMBL5786829 0.91 NR1I3 (0.41) IGF1RALDH1A1CSNK1DCSNK1EMAPK13
SCHEMBL5790871 0.85 PTGS2 (0.44) ALDH1A1CSNK1DCSNK1ENPC1RAB9A
SCHEMBL5791351 0.81 TGFBR1 (0.44) ALDH1A1NPC1RAB9AMAPK14
SCHEMBL5789564 0.80 IGF1R (0.48) IGF1RALDH1A1NR1I3KDM4EINSR
SCHEMBL5788405 0.80 KLK7 (0.44) IGF1RALDH1A1KLK7CSNK1DCSNK1E
SCHEMBL1428788 0.76 AKT1 (0.50) ALDH1A1CSNK1DCSNK1ENPC1RAB9A
SCHEMBL1429286 0.76 ALDH1A1 (0.67) ALDH1A1CSNK1DCSNK1ENPC1RAB9A
SCHEMBL1428784 0.74 AKT1 (0.60) ALDH1A1NPC1RAB9AAKT1AKT2
SCHEMBL5789751 0.73 MAPK13 (0.46) IGF1RNPC1RAB9AMAPK13MAPK12
SCHEMBL5788291 0.73 MAPT (0.48) ALDH1A1CSNK1DCSNK1ENPC1RAB9A

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 IGF1R 34/4885ALDH1A1 2965/4885KLK7 4130/4885

“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.