SCHEMBL811052

SCHEMBL811052

CC(C)c1ccc2c(Nc3cc(OCc4ccccc4)ccc3Oc3ccc(O)cc3)ncnc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDR P35968 1/20 0.47
PIM1 P11309 1/20 0.46
AKT2 P31751 1/20 0.46
EGFR P00533 6/20 0.44
ERBB2 P04626 5/20 0.44
ERBB4 Q15303 2/20 0.39
AURKB Q96GD4 2/20 0.39
CHEK2 O96017 1/20 0.39
ROS1 P08922 1/20 0.39
FLT3 P36888 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL810554 0.91 PIM1 (0.45) MAPTMEN1KMT2AKDRPIM1
SCHEMBL811418 0.91 PIM1 (0.45) MAPTMEN1KMT2AKDRPIM1
SCHEMBL1455928 0.88 EGFR (0.41) MAPTMEN1KMT2AKDREGFR
SCHEMBL1455416 0.87 EGFR (0.41) MAPTMEN1KMT2AKDREGFR
SCHEMBL810944 0.86 PIM1 (0.64) MAPTMEN1KMT2AKDRPIM1
SCHEMBL811538 0.85 PIM1 (0.41) MAPTMEN1KMT2AKDRPIM1
SCHEMBL810704 0.84 PIM1 (0.55) MAPTMEN1KMT2AKDRPIM1
SCHEMBL810445 0.84 PIM1 (0.38) MAPTKDRPIM1AKT2LMNA
SCHEMBL1455216 0.84 HTT (0.39) MEN1KMT2APIM1AKT2HTT
SCHEMBL13274116 0.83 PIM1 (0.38) MAPTMEN1KMT2AKDRPIM1

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 MAPT 1347/4885MEN1 4571/4885KMT2A 3566/4885

“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.