SCHEMBL810073

SCHEMBL810073

CC(C)(O)c1ccc2c(Nc3cc(OCc4cccc(C#N)c4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.55
AKT2 P31751 1/20 0.55
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KDR P35968 1/20 0.35
KMT2A Q03164 1/20 0.35
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
GRM5 P41594 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
EGLN2 Q96KS0 2/20 0.34
EGLN1 Q9GZT9 2/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
MMP1 P03956 1/20 0.34
ADAM17 P78536 1/20 0.34
CYP4F2 P78329 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
SCHEMBL810849 0.92 PIM1 (0.55) PIM1AKT2MAOBMAOAMEN1
SCHEMBL810757 0.90 PIM1 (0.68) PIM1AKT2MAOBMAOAMEN1
SCHEMBL810897 0.88 PIM1 (0.55) PIM1AKT2MAOBMAOAMEN1
SCHEMBL809987 0.86 PIM1 (0.63) PIM1AKT2MAOBMEN1MAPT
SCHEMBL4375932 0.86 PIM1 (0.55) PIM1AKT2MAOBMAOAMEN1
SCHEMBL810307 0.86 PIM1 (0.52) PIM1AKT2MAOBMAOAMEN1
SCHEMBL810351 0.85 PIM1 (0.61) PIM1AKT2MAOBMAOAMEN1
SCHEMBL811069 0.84 PIM1 (0.64) PIM1AKT2MEN1MAPTKDR
SCHEMBL810869 0.84 PIM1 (0.61) PIM1AKT2MAOBMAOAMEN1
SCHEMBL811480 0.84 PIM1 (0.57) PIM1AKT2MAOBMAOAMEN1

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 3903/4885MAOB 3352/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PIM1 2963/4885AKT2 3903/4885MAOB 3352/4885

“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.