SCHEMBL7209340

SCHEMBL7209340

COc1cc(N(C(N)=O)c2cccc(/N=C(\N)NC#N)c2)ccc1-c1cnco1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 19/20 0.71
AAK1 Q2M2I8 1/20 0.46
IMPDH1 P20839 1/20 0.43

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
SCHEMBL7209347 1.00 IMPDH2 (0.71) IMPDH2AAK1IMPDH1
SCHEMBL1477832 0.84 IMPDH2 (0.72) IMPDH2AAK1IMPDH1
SCHEMBL1477829 0.84 IMPDH2 (0.72) IMPDH2AAK1IMPDH1
SCHEMBL16504314 0.79 IMPDH2 (0.65) IMPDH2AAK1
SCHEMBL16504313 0.79 IMPDH2 (0.65) IMPDH2AAK1
SCHEMBL16504388 0.76 IMPDH2 (0.51) IMPDH2AAK1
SCHEMBL7210073 0.76 IMPDH2 (0.60) IMPDH2
SCHEMBL16504387 0.76 IMPDH2 (0.51) IMPDH2AAK1
SCHEMBL7210074 0.76 IMPDH2 (0.60) IMPDH2
SCHEMBL7210072 0.76 IMPDH2 (0.60) IMPDH2

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-6617323-B2 For therapy and prophylaxis of transplant rejection and autoimmune diseases BRISTOL-MYERS SQUIBB CO. 2003-09-09 US disclosed
US-20020183315-A1 Amino-substituted compounds useful as inhibitors of impdh enzyme IWANOWICZ EDWIN J (US) 2002-12-05 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-20020183315-A1 Amino-substituted compounds useful as inhibitors of impdh enzyme IMPDH1, IMPDH2, ALDH7A1 IMPDH2 2/4885AAK1 3168/4885IMPDH1 1/4885

“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.