SCHEMBL8324430

SCHEMBL8324430

FC(F)(F)COc1ccc(-c2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.67
THRB P10828 4/20 0.64
MAPK14 Q16539 4/20 0.64
TGFBR2 P37173 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
Trifluoroacetic Acid SCHEMBL4477254 0.95 TGFBR1 (0.65) TGFBR1THRBMAPK14TGFBR2
SCHEMBL8326198 0.88 TGFBR1 (0.74) TGFBR1THRBMAPK14TGFBR2
SCHEMBL8324394 0.85 TGFBR1 (0.88) TGFBR1THRBMAPK14TGFBR2
SCHEMBL4479321 0.84 TGFBR1 (0.85) TGFBR1THRBMAPK14
Trifluoroacetic Acid SCHEMBL4491884 0.84 TGFBR1 (0.76) TGFBR1TGFBR2
SCHEMBL373074 0.82 TGFBR1 (0.84) TGFBR1THRBMAPK14TGFBR2
SCHEMBL4471671 0.82 TGFBR1 (0.80) TGFBR1THRBMAPK14
SCHEMBL5235558 0.82 TGFBR1 (0.87) TGFBR1THRBMAPK14TGFBR2
SCHEMBL4489877 0.82 TGFBR1 (0.78) TGFBR1THRBMAPK14TGFBR2
SCHEMBL412973 0.82 TGFBR1 (0.77) TGFBR1THRBMAPK14TGFBR2

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-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 US disclosed
US-20080113977-A1 Mixed Lineage Kinase Modulators ELI LILLY AND COMPANY 2008-05-15 US disclosed
WO-2004048383-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 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 (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-20080113977-A1 Mixed Lineage Kinase Modulators MYLK2, CSNK1G2, CSNK1A1 TGFBR1 691/4885THRB 528/4885MAPK14 169/4885

“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.