SCHEMBL811282

SCHEMBL811282

Fc1cc(F)c(OCc2ccccc2)cc1Nc1ncnc2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
PPIA P62937 1/20 0.44
EGFR P00533 8/20 0.43
ERBB2 P04626 3/20 0.43
CHEK2 O96017 1/20 0.43
ROS1 P08922 1/20 0.43
FLT3 P36888 1/20 0.43
ERBB4 Q15303 1/20 0.43
AURKB Q96GD4 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
FLT1 P17948 2/20 0.42
MAPK14 Q16539 2/20 0.41
TNNI3K Q59H18 1/20 0.39
RET P07949 2/20 0.39
KIF5B P33176 2/20 0.39
LTA4H P09960 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
SCHEMBL810424 0.91 KDR (0.47) KDRMEN1MAPTKMT2APPIA
SCHEMBL810508 0.84 KDR (0.54) KDRMEN1MAPTKMT2AEGFR
SCHEMBL811381 0.76 KDR (0.52) KDRMEN1MAPTKMT2AEGFR
SCHEMBL810421 0.75 EGFR (0.71) KDRMEN1MAPTKMT2AEGFR
SCHEMBL810989 0.70 EGFR (0.57) KDREGFRERBB2CHEK2ROS1
SCHEMBL810273 0.70 PIM1 (0.60) KDRMEN1MAPTKMT2AEGFR
Hydrochloric Acid SCHEMBL8809257 0.70 EGFR (0.67) KDREGFRERBB2CHEK2ROS1
SCHEMBL7214413 0.69 KDR (0.65) KDRMEN1MAPTKMT2AEGFR
SCHEMBL810666 0.69 EGFR (0.55) EGFRERBB2
SCHEMBL7535445 0.68 EGFR (0.68) KDREGFRERBB2AURKBCLK4

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 KDR 3293/4885MEN1 4571/4885MAPT 1347/4885

“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.