SCHEMBL373473

SCHEMBL373473

CCOc1ccc2c(-c3c(-c4cccc(C)n4)nn4c3CCC4)ccnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 1.00
MAPK14 Q16539 5/20 1.00
THRB P10828 4/20 1.00
TGFBR2 P37173 2/20 0.62
GAK O14976 1/20 0.62
RIPK2 O43353 1/20 0.62
MAP4K4 O95819 1/20 0.62
KDR P35968 1/20 0.62
ACVR1B P36896 1/20 0.62
CSNK1A1 P48729 1/20 0.62
CSNK1D P48730 1/20 0.62
CSNK1E P49674 1/20 0.62
TGFB2 P61812 1/20 0.62
MINK1 Q8N4C8 1/20 0.62
COQ8A Q8NI60 1/20 0.62
TNIK Q9UKE5 1/20 0.62
RIPK3 Q9Y572 1/20 0.62

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
SCHEMBL412988 0.93 TGFBR1 (0.87) TGFBR1MAPK14THRBTGFBR2GAK
SCHEMBL410580 0.91 TGFBR1 (0.84) TGFBR1MAPK14THRBTGFBR2GAK
SCHEMBL414746 0.91 TGFBR1 (0.83) TGFBR1MAPK14THRBTGFBR2GAK
SCHEMBL414737 0.90 TGFBR1 (0.82) TGFBR1MAPK14THRBTGFBR2GAK
SCHEMBL413831 0.90 TGFBR1 (0.81) TGFBR1MAPK14THRBTGFBR2GAK
SCHEMBL414312 0.89 TGFBR1 (0.80) TGFBR1MAPK14THRBTGFBR2GAK
SCHEMBL413269 0.88 TGFBR1 (0.79) TGFBR1MAPK14THRBTGFBR2GAK
SCHEMBL414844 0.88 TGFBR1 (0.78) TGFBR1MAPK14THRBTGFBR2GAK
SCHEMBL411939 0.88 TGFBR1 (0.78) TGFBR1MAPK14THRBTGFBR2GAK
SCHEMBL5239595 0.87 TGFBR1 (0.77) TGFBR1MAPK14THRBTGFBR2GAK

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-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US disclosed
US-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins B&G PARTNERS, LLC 2012-01-26 US disclosed
EP-2409708-A1 Compounds and methods for selectively targeting tumor-associated mucins B & G Partners, LLC (US) 2012-01-25 EP disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP 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-20120022016-A1 Compounds and methods for selectively targeting tumor-associated mucins MUC1, NEU4, ALK TGFBR1 1324/4885MAPK14 2025/4885THRB 1866/4885

“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.