SCHEMBL5789640

SCHEMBL5789640

Cc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.49
SLC2A1 P11166 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
MAPKAPK2 P49137 1/20 0.42
KDR P35968 7/20 0.42
MAPK14 Q16539 3/20 0.40
IGF1R P08069 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACP1 P24666 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL5791728 0.91 SMN1; SMN2 (0.49) TGFBR1SLC2A1KDM4EGAAMAPKAPK2
SCHEMBL5788058 0.90 TGFBR1 (0.57) TGFBR1SLC2A1KDM4EGAAMAPKAPK2
SCHEMBL5791430 0.88 SLC2A1 (0.50) TGFBR1SLC2A1KDM4E
SCHEMBL5787031 0.88 GAA (0.48) TGFBR1KDM4EGAAKDRMAPK14
SCHEMBL5789274 0.87 TGFBR1 (0.46) TGFBR1GAAMAPKAPK2KDRMAPK14
SCHEMBL5787871 0.83 TGFBR1 (0.50) TGFBR1KDRMAPK14
SCHEMBL6365567 0.82 SLC2A1 (0.50) TGFBR1SLC2A1KDM4EGAAMAPKAPK2
SCHEMBL5792573 0.81 TGFBR1 (0.45) TGFBR1KDRMAPK14
SCHEMBL5789474 0.81 CDK4 (0.46) TGFBR1GAAKDRMAPK14SMN1; SMN2
SCHEMBL5790400 0.80 SLC2A1 (0.46) TGFBR1SLC2A1KDRMAPK14

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 9 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 claimed
US-20050234029-A1 Compounds DODIC NERINA 2005-10-20 US claimed
EP-1543003-A2 IMIDAZO[1,2-A]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2005-06-22 EP claimed
WO-2004013138-A2 IMIDAZO`1,2-A!PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 WO claimed
EP-1543003-B1 IMIDAZO¬1,2-A|PYRIDINES SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP disclosed
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 US disclosed
US-20050234029-A1 Compounds DODIC NERINA 2005-10-20 US disclosed
EP-1543003-A2 IMIDAZO[1,2-A]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2005-06-22 EP disclosed
WO-2004013138-A2 IMIDAZO`1,2-A!PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 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 (2 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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK TGFBR1 7/4885SLC2A1 3514/4885KDM4E 514/4885
US-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 TGFBR1 4/4885SLC2A1 3838/4885KDM4E 1041/4885

“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.