SCHEMBL811433

SCHEMBL811433

COc1ccc(Sc2ccc(C)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
AKT2 P31751 1/20 0.48
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.37
KDR P35968 1/20 0.36

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
SCHEMBL810875 0.89 PIM1 (0.53) PIM1AKT2NCOA1NCOA3HTT
SCHEMBL1455708 0.87 PIM1 (0.45) PIM1AKT2MAPT
SCHEMBL1455354 0.87 PIM1 (0.45) PIM1AKT2
SCHEMBL1455092 0.86 KDR (0.44) PIM1AKT2MAPTKDR
SCHEMBL1456025 0.86 PIM1 (0.45) PIM1AKT2KDR
SCHEMBL810356 0.84 PIM1 (0.58) PIM1AKT2MAPTKDR
SCHEMBL811139 0.84 NCOA1 (0.44) NCOA1NCOA3HTTMAPTKDR
SCHEMBL1454731 0.84 TP53 (0.46) PIM1AKT2MAPTKDR
SCHEMBL811394 0.84 PIM1 (0.46) PIM1AKT2
SCHEMBL810610 0.84 PIM1 (0.42) PIM1AKT2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885NCOA1 141/4885

“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.