SCHEMBL6327640

SCHEMBL6327640

Cn1cnc(COc2ccc(-c3cc(-c4nc(C(C)(C)C)[nH]c4-c4ccccn4)ccn3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.40
MTOR P42345 1/20 0.40
ACVR1B P36896 3/20 0.39
MAPK14 Q16539 3/20 0.38
SMO Q99835 2/20 0.38
RIPK2 O43353 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.35
BRAF P15056 1/20 0.35
PDE10A Q9Y233 2/20 0.35
CYP2C9 P11712 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL6222973 0.79 TGFBR1 (0.50) TGFBR1MTORACVR1BMAPK14RIPK2
SCHEMBL6182965 0.78 TGFBR1 (0.46) TGFBR1ACVR1BMAPK14SMOPDE10A
SCHEMBL6327636 0.74 TGFBR1 (0.40) TGFBR1MTORACVR1BMAPK14RIPK2
SCHEMBL6182397 0.72 SMO (0.40) TGFBR1ACVR1BMAPK14SMOFFAR1
SCHEMBL5907466 0.71 TGFBR1 (0.41) TGFBR1MAPK14RIPK2
SCHEMBL6223211 0.71 TGFBR1 (0.54) TGFBR1MTORACVR1BMAPK14RIPK2
SCHEMBL6325331 0.70 TGFBR1 (0.56) TGFBR1MTORACVR1BMAPK14RIPK2
SCHEMBL6328925 0.69 TGFBR1 (0.67) TGFBR1MTORACVR1BMAPK14RIPK2
SCHEMBL5956566 0.68 TGFBR1 (0.52) TGFBR1MAPK14RIPK2
SCHEMBL5790048 0.67 TGFBR1 (0.38) TGFBR1MAPK14SMO

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 77/4885ACVR1B 10/4885

“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.