SCHEMBL810278

SCHEMBL810278

CC(C)c1ccc2c(Nc3cc(OCc4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.54
AKT2 P31751 1/20 0.54
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KDR P35968 1/20 0.40
KMT2A Q03164 1/20 0.40
EGFR P00533 3/20 0.39
ERBB2 P04626 2/20 0.39
AURKB Q96GD4 2/20 0.38
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
CHEK2 O96017 1/20 0.38
ROS1 P08922 1/20 0.38
FLT3 P36888 1/20 0.38
ERBB4 Q15303 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 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
SCHEMBL810944 0.93 PIM1 (0.64) PIM1AKT2MEN1MAPTKDR
SCHEMBL5067800 0.92 PIM1 (0.49) PIM1AKT2MEN1MAPTKDR
SCHEMBL811591 0.91 PIM1 (0.49) PIM1AKT2EGFR
SCHEMBL811470 0.90 PIM1 (0.53) PIM1AKT2MEN1MAPTKDR
SCHEMBL811032 0.89 PIM1 (0.68) PIM1AKT2MEN1MAPTKDR
SCHEMBL13305807 0.89 PIM1 (0.51) PIM1AKT2MEN1MAPTKDR
SCHEMBL811586 0.87 PIM1 (0.47) PIM1AKT2EGFR
SCHEMBL810704 0.86 PIM1 (0.55) PIM1AKT2MEN1MAPTKDR
SCHEMBL4976143 0.86 PIM1 (0.44) PIM1AKT2EGFRTTBK1TTBK2
SCHEMBL5064931 0.85 PIM1 (0.59) 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.