SCHEMBL6168530

SCHEMBL6168530

COc1cc(NC(=S)NC#N)ccc1-c1cnco1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 16/20 0.67
IMPDH1 P20839 2/20 0.61
AAK1 Q2M2I8 4/20 0.59

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
SCHEMBL7724586 0.85 AAK1 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL1616816 0.82 AAK1 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL12749604 0.81 IMPDH2 (0.80) IMPDH2IMPDH1AAK1
SCHEMBL1475849 0.81 IMPDH2 (0.71) IMPDH2IMPDH1AAK1
SCHEMBL1475851 0.81 IMPDH2 (0.71) IMPDH2IMPDH1AAK1
SCHEMBL1473636 0.81 IMPDH2 (1.00) IMPDH2AAK1
SCHEMBL1473633 0.81 IMPDH2 (1.00) IMPDH2AAK1
SCHEMBL1474041 0.81 IMPDH2 (0.77) IMPDH2IMPDH1AAK1
SCHEMBL1474175 0.80 IMPDH2 (1.00) IMPDH2IMPDH1
SCHEMBL1474174 0.80 IMPDH2 (1.00) IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126843-A4 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-15 EP disclosed
EP-1448187-A4 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2005-05-25 EP disclosed
EP-1448187-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2004-08-25 EP disclosed
US-6596747-B2 For therapy of diseases associdated with Factor VIIa and or inosine monophosphate dehydrogenase (IMPDH) BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US disclosed
WO-2003047512-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
US-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 US disclosed
US-6420403-B1 INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, TRANSPLANT REJECTION AND AUTOIMMUNE DISEASES. BRISTOL-MYERS SQUIBB COMPANY 2002-07-16 US disclosed
US-6399773-B1 AUTOIMMUNE DISEASE; TRANSPLANTING ORGANS BRISTOL-MYERS SQUIBB CO. 2002-06-04 US disclosed
EP-1126843-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-29 EP disclosed
WO-2000025780-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 WO 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-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885IMPDH1 1/4885AAK1 4637/4885

“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.