SCHEMBL810862

SCHEMBL810862

Cc1nc2ncnc(Nc3cc(OCc4cccc(F)c4)ccc3Sc3ccc(O)cc3)c2cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.54
AKT2 P31751 1/20 0.54
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KDR P35968 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 9/20 0.38
ERBB2 P04626 5/20 0.35
MAOB P27338 5/20 0.35
MAOA P21397 1/20 0.35
GAK O14976 1/20 0.33

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
SCHEMBL809927 0.86 PIM1 (0.71) PIM1AKT2MEN1MAPTKDR
SCHEMBL811480 0.84 PIM1 (0.57) PIM1AKT2MEN1MAPTKDR
SCHEMBL821174 0.83 PIM1 (0.57) PIM1AKT2MEN1MAPTKDR
SCHEMBL810939 0.82 PIM1 (0.54) PIM1AKT2MEN1MAPTKDR
SCHEMBL810757 0.81 PIM1 (0.68) PIM1AKT2MEN1MAPTKDR
SCHEMBL5061334 0.80 PIM1 (0.66) PIM1AKT2MEN1MAPTKDR
SCHEMBL810707 0.78 PIM1 (0.73) PIM1AKT2MEN1MAPTKDR
SCHEMBL810897 0.78 PIM1 (0.55) PIM1AKT2MEN1MAPTKDR
SCHEMBL811593 0.78 PIM1 (0.49) PIM1AKT2MEN1MAPTKDR
SCHEMBL810073 0.77 PIM1 (0.55) PIM1AKT2MEN1MAPTKDR

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-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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 (2 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MEN1 4571/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MEN1 4571/4885

“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.