SCHEMBL1456044

SCHEMBL1456044

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
AKT2 P31751 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
CASP3 P42574 2/20 0.41
RAB9A P51151 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
AURKB Q96GD4 1/20 0.40
EGFR P00533 2/20 0.40
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL1454036 0.95 PIM1 (0.47) PIM1AKT2AURKBEGFR
SCHEMBL1454484 0.93 NPC1 (0.42) PIM1AKT2SMN1; SMN2NPC1CASP3
SCHEMBL1456245 0.93 PIM1 (0.46) PIM1AKT2AURKBEGFR
SCHEMBL1455772 0.92 PIM1 (0.47) PIM1AKT2NPC1RAB9AL3MBTL1
SCHEMBL1454688 0.92 PIM1 (0.48) PIM1AKT2AURKBEGFR
SCHEMBL1455578 0.91 PIM1 (0.49) PIM1AKT2AURKBEGFR
SCHEMBL1455738 0.91 PIM1 (0.44) PIM1AKT2NPC1CASP3RAB9A
SCHEMBL1454076 0.91 PIM1 (0.44) PIM1AKT2EGFR
SCHEMBL1454922 0.91 PIM1 (0.47) PIM1AKT2AURKB
SCHEMBL1454364 0.91 PIM1 (0.47) PIM1AKT2AURKBEGFR

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 3903/4885SMN1; SMN2 3135/4885

“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.