SCHEMBL5789474

SCHEMBL5789474

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.46
CDK2 P24941 1/20 0.46
TGFBR1 P36897 18/20 0.45
KDR P35968 7/20 0.45
MAPK14 Q16539 7/20 0.45
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RIPK2 O43353 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
SCHEMBL5792573 0.90 TGFBR1 (0.45) CDK4CDK2TGFBR1KDRMAPK14
SCHEMBL5789426 0.88 NPC1 (0.47) TGFBR1KDRMAPK14SMN1; SMN2
SCHEMBL5791351 0.87 TGFBR1 (0.44) CDK4CDK2TGFBR1KDRMAPK14
SCHEMBL5787144 0.86 TGFBR1 (0.60) TGFBR1KDRMAPK14RIPK2
SCHEMBL6372080 0.86 TGFBR1 (0.51) CDK4CDK2TGFBR1KDRMAPK14
SCHEMBL6364773 0.84 TGFBR1 (0.42) TGFBR1KDRMAPK14GAAMAPT
SCHEMBL5787031 0.84 GAA (0.48) TGFBR1KDRMAPK14GAAMAPT
SCHEMBL5791222 0.84 TGFBR1 (0.40) CDK4CDK2TGFBR1KDRMAPK14
SCHEMBL5786598 0.84 CCNE1 (0.49) CDK4CDK2TGFBR1KDRMAPK14
SCHEMBL5789350 0.83 CDK2 (0.44) CDK4CDK2TGFBR1KDRMAPK14

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 3 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-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

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 CDK4 262/4885CDK2 98/4885TGFBR1 7/4885
US-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 CDK4 174/4885CDK2 47/4885TGFBR1 4/4885

“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.