SCHEMBL6325331

SCHEMBL6325331

Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(-c3ccc(OCC(N)=O)cc3)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.56
MTOR P42345 1/20 0.56
MAPK14 Q16539 5/20 0.50
RIPK2 O43353 2/20 0.50
ACVR1B P36896 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDR P35968 4/20 0.46
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
PRKD1 Q15139 1/20 0.44
DGAT1 O75907 1/20 0.41
BRAF P15056 1/20 0.39
ACACA Q13085 3/20 0.39

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
SCHEMBL6328925 0.83 TGFBR1 (0.67) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6402931 0.81 TGFBR1 (0.63) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6223211 0.80 TGFBR1 (0.54) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6226473 0.80 TGFBR1 (0.62) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6332298 0.79 TGFBR1 (0.61) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL5956506 0.78 TGFBR1 (0.46) TGFBR1MAPK14RIPK2ACVR1BKDR
SCHEMBL6251764 0.76 TGFBR1 (0.57) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL5956501 0.76 TGFBR1 (0.56) TGFBR1MAPK14KDRACACA
SCHEMBL6248273 0.75 TGFBR1 (0.58) TGFBR1MTORMAPK14RIPK2ACVR1B
SCHEMBL6264300 0.74 TGFBR1 (0.78) TGFBR1MTORMAPK14RIPK2ACVR1B

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.