SCHEMBL6327636

SCHEMBL6327636

CC(Oc1ccc(-c2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccccn3)ccn2)cc1)c1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.40
MTOR P42345 1/20 0.40
MAPK14 Q16539 3/20 0.37
ACVR1B P36896 2/20 0.37
RIPK2 O43353 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BRAF P15056 3/20 0.35

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
SCHEMBL6182970 0.78 TGFBR1 (0.42) TGFBR1ACVR1B
SCHEMBL6222973 0.77 TGFBR1 (0.50) TGFBR1MTORMAPK14ACVR1BRIPK2
SCHEMBL6327640 0.74 TGFBR1 (0.40) TGFBR1MTORMAPK14ACVR1BRIPK2
SCHEMBL6328925 0.67 TGFBR1 (0.67) TGFBR1MTORMAPK14ACVR1BRIPK2
SCHEMBL6764691 0.66 TGFBR1 (0.48) TGFBR1MTORMAPK14TDP1BRAF
SCHEMBL6223211 0.66 TGFBR1 (0.54) TGFBR1MTORMAPK14ACVR1BRIPK2
SCHEMBL6325331 0.66 TGFBR1 (0.56) TGFBR1MTORMAPK14ACVR1BRIPK2
SCHEMBL4098251 0.66 BRAF (0.47) TGFBR1MTORMAPK14ACVR1BRIPK2
SCHEMBL6402931 0.65 TGFBR1 (0.63) TGFBR1MTORMAPK14ACVR1BRIPK2
SCHEMBL6226473 0.64 TGFBR1 (0.62) TGFBR1MTORMAPK14ACVR1BRIPK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK TGFBR1 7/4885MTOR 77/4885MAPK14 253/4885

“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.