SCHEMBL810849

SCHEMBL810849

CC(C)(O)c1ccc2c(Nc3cc(OCc4ccc(C#N)cc4)ccc3Sc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.55
AKT2 P31751 1/20 0.55
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KDR P35968 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 3/20 0.34
EGLN2 Q96KS0 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAOA P21397 1/20 0.33
SMPD1 P17405 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL810073 0.92 PIM1 (0.55) PIM1AKT2MEN1MAPTKDR
SCHEMBL810351 0.90 PIM1 (0.61) PIM1AKT2MEN1MAPTKDR
SCHEMBL810400 0.89 PIM1 (0.69) PIM1AKT2MEN1MAPTKDR
SCHEMBL810792 0.87 PIM1 (0.56) PIM1AKT2MEN1MAPTKDR
SCHEMBL809987 0.87 PIM1 (0.63) PIM1AKT2MEN1MAPTKDR
SCHEMBL810225 0.84 PIM1 (0.53) PIM1AKT2MEN1MAPTKDR
SCHEMBL811069 0.84 PIM1 (0.64) PIM1AKT2MEN1MAPTKDR
SCHEMBL810758 0.82 PIM1 (0.65) PIM1AKT2MEN1MAPTKDR
SCHEMBL810757 0.81 PIM1 (0.68) PIM1AKT2MEN1MAPTKDR
SCHEMBL810803 0.80 PIM1 (0.69) 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 4 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
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US 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 3903/4885MEN1 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.