SCHEMBL810446

SCHEMBL810446

CCSc1ncc2c(Nc3cc(C)ccc3Sc3ccc(OCc4ccccc4)cc3)ncnc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
AKT2 P31751 1/20 0.48
EGFR P00533 7/20 0.38
ERBB2 P04626 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 3/20 0.38
ERBB4 Q15303 2/20 0.38
CHEK2 O96017 1/20 0.38
ROS1 P08922 1/20 0.38
FLT3 P36888 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL810685 0.91 PIM1 (0.46) PIM1AKT2EGFRERBB2MAPT
SCHEMBL821186 0.87 PIM1 (0.42) PIM1AKT2MAPTHTT
SCHEMBL811759 0.86 PIM1 (0.49) PIM1AKT2MEN1KMT2AMAPT
SCHEMBL811196 0.86 PIM1 (0.45) PIM1AKT2EGFRERBB2KMT2A
SCHEMBL810696 0.86 PIM1 (0.43) PIM1AKT2MAPTHTT
SCHEMBL811281 0.86 PIM1 (0.43) PIM1AKT2MAPTNPC1TP53
SCHEMBL811189 0.85 PIM1 (0.42) PIM1AKT2MEN1KMT2AMAPT
SCHEMBL810498 0.83 PIM1 (0.41) PIM1AKT2MAPTTP53HTT
SCHEMBL810876 0.83 PIM1 (0.40) PIM1AKT2MAPT
SCHEMBL810145 0.81 PIM1 (0.39) PIM1AKT2MEN1KMT2AMAPT

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 3903/4885EGFR 2701/4885

“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.