SCHEMBL5849996

SCHEMBL5849996

Cc1nc2c([nH]1)CC(C)C(C)C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.33
PARP1 P09874 1/20 0.30
PARP15 Q460N3 1/20 0.30
PARP3 Q9Y6F1 1/20 0.30

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
SCHEMBL15984749 0.74 PDK1 (0.39) HAVCR2PARP1PARP15PARP3
SCHEMBL21888964 0.74 PDK1 (0.39) HAVCR2PARP1PARP15PARP3
SCHEMBL23732125 0.71 HAVCR2 (0.36) HAVCR2
SCHEMBL23732014 0.68 NR2E1 (0.36) HAVCR2PARP1PARP15PARP3
SCHEMBL19662567 0.66 NOS3 (0.37) HAVCR2
SCHEMBL17146831 0.66
SCHEMBL2190670 0.64
SCHEMBL171272 0.64 HAVCR2 (0.48) HAVCR2PARP1PARP15PARP3
SCHEMBL2756447 0.64
SCHEMBL10281378 0.62 HAVCR2 (0.47) HAVCR2PARP1PARP15PARP3

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-6984646-B2 Imidazopyridinones as p38 map kinase inhibitors BAYER HEALHCARE AG (DE) 2006-01-10 US disclosed
EP-1412353-B1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-03-02 EP disclosed
US-20040220208-A1 Imidazopyridinones as p38 map kinase inhibitors BAYER HEALTHCARE AG (DE) 2004-11-04 US disclosed
EP-1412353-A1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
WO-2003008413-A1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-01-30 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-20040220208-A1 Imidazopyridinones as p38 map kinase inhibitors MAPK1, MAPK3, MAP3K1 HAVCR2 2866/4885PARP1 931/4885PARP15 1763/4885

“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.