SCHEMBL416188

SCHEMBL416188

CN(C)CCCn1cnc2ccc(-c3c(-c4ccccn4)nn4c3CCC4)cc21.Cn1cnc2cc(-c3c(-c4ccccn4)nn4c3CCC4)ccc21

nearest known ligand 0.91

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.91
MAP3K20 Q9NYL2 8/20 0.91
TGFBR2 P37173 8/20 0.74
THRB P10828 2/20 0.48

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
SCHEMBL373761 0.95 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL373883 0.93 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL372680 0.86 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL373377 0.85 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL373725 0.84 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL31060212 0.84 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL373236 0.84 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL373531 0.84 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL4815067 0.81 TGFBR1 (0.74) TGFBR1MAP3K20TGFBR2THRB
SCHEMBL373309 0.78 TGFBR1 (1.00) TGFBR1MAP3K20TGFBR2THRB

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
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

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 1324/4885MAP3K20 2119/4885TGFBR2 1798/4885

“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.