SCHEMBL1454076

SCHEMBL1454076

CC(C)c1ccc2c(Nc3cc(NC(=O)c4cccc(Cl)c4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
AKT2 P31751 1/20 0.44
KDR P35968 1/20 0.43
BRAF P15056 1/20 0.42
EGFR P00533 2/20 0.39
MAPK14 Q16539 2/20 0.39
ADORA2A P29274 1/20 0.39
AURKA O14965 1/20 0.38

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
SCHEMBL1456245 0.93 PIM1 (0.46) PIM1AKT2EGFRMAPK14
SCHEMBL1455772 0.92 PIM1 (0.47) PIM1AKT2KDRMAPK14AURKA
SCHEMBL1455544 0.92 PIM1 (0.44) PIM1AKT2EGFRMAPK14AURKA
SCHEMBL1455578 0.91 PIM1 (0.49) PIM1AKT2EGFRMAPK14AURKA
SCHEMBL1455738 0.91 PIM1 (0.44) PIM1AKT2KDRAURKA
SCHEMBL1456044 0.91 PIM1 (0.48) PIM1AKT2EGFR
SCHEMBL1454364 0.91 PIM1 (0.47) PIM1AKT2KDREGFRMAPK14
SCHEMBL1454978 0.90 PIM1 (0.43) PIM1AKT2KDRBRAFEGFR
SCHEMBL1454665 0.90 PIM1 (0.47) PIM1AKT2BRAF
SCHEMBL1454920 0.90 MAPK14 (0.48) PIM1AKT2BRAFEGFRMAPK14

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
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885KDR 3293/4885

“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.