SCHEMBL7209044

SCHEMBL7209044

COc1cc(NC(=O)Nc2cccc(N)c2)ccc1-c1cnco1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 11/20 0.79
IMPDH1 P20839 5/20 0.79
AAK1 Q2M2I8 9/20 0.66

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
SCHEMBL14065059 0.88 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
Trifluoroacetic Acid SCHEMBL6486386 0.87 IMPDH2 (0.73) IMPDH2IMPDH1AAK1
SCHEMBL7214976 0.87 IMPDH2 (0.74) IMPDH2IMPDH1AAK1
SCHEMBL12343257 0.85 IMPDH2 (0.76) IMPDH2IMPDH1AAK1
SCHEMBL14293547 0.85 IMPDH2 (0.76) IMPDH2IMPDH1AAK1
SCHEMBL7215018 0.85 IMPDH2 (0.74) IMPDH2IMPDH1AAK1
SCHEMBL2689376 0.84 IMPDH2 (0.74) IMPDH2IMPDH1AAK1
SCHEMBL7208989 0.84 IMPDH2 (0.73) IMPDH2IMPDH1AAK1
SCHEMBL14039597 0.84 IMPDH2 (0.73) IMPDH2IMPDH1AAK1
SCHEMBL5531405 0.83 AAK1 (0.75) IMPDH2IMPDH1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329681-B2 Inhibitors of IMPDH enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-12 US disclosed
US-7329681-B2 Inhibitors of IMPDH enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-12 US disclosed
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
US-6420403-B1 INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, TRANSPLANT REJECTION AND AUTOIMMUNE DISEASES. BRISTOL-MYERS SQUIBB COMPANY 2002-07-16 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 2/4885IMPDH1 1/4885AAK1 3168/4885

“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.