SCHEMBL810508

SCHEMBL810508

Cc1ccc2c(Nc3cc(OCc4ccccc4)c(F)cc3F)ncnc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
PIM1 P11309 1/20 0.43
AKT2 P31751 1/20 0.43
EGFR P00533 6/20 0.41
MAPK14 Q16539 1/20 0.41
FLT1 P17948 3/20 0.40
GRM5 P41594 1/20 0.40
ERBB2 P04626 3/20 0.39
MKNK2 Q9HBH9 2/20 0.39
RET P07949 3/20 0.39
KIF5B P33176 3/20 0.39
CHEK2 O96017 1/20 0.39
ROS1 P08922 1/20 0.39
FLT3 P36888 1/20 0.39
ERBB4 Q15303 1/20 0.39
AURKB Q96GD4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL811381 0.91 KDR (0.52) KDRMEN1MAPTKMT2APIM1
SCHEMBL811282 0.84 KDR (0.49) KDRMEN1MAPTKMT2AEGFR
SCHEMBL810607 0.78 PIM1 (0.59) KDRMEN1MAPTKMT2APIM1
SCHEMBL810424 0.76 KDR (0.47) KDRMEN1MAPTKMT2AEGFR
SCHEMBL810680 0.74 EGFR (0.45) KDRMEN1MAPTKMT2APIM1
SCHEMBL810726 0.73 PIM1 (0.42) KDRMEN1MAPTKMT2APIM1
SCHEMBL810532 0.72 PIM1 (0.79) KDRMEN1MAPTKMT2APIM1
SCHEMBL811515 0.72 PIM1 (0.64) KDRMEN1MAPTKMT2APIM1
SCHEMBL811032 0.71 PIM1 (0.68) KDRMEN1MAPTKMT2APIM1
SCHEMBL810419 0.71 EGFR (0.48) EGFRERBB2

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.