SCHEMBL1454562

SCHEMBL1454562

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Sc2ccc(O)cc2)c(Nc2ncnc3ncccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
BRAF P15056 8/20 0.49
KDR P35968 4/20 0.48
LCK P06239 3/20 0.48
MAPK14 Q16539 3/20 0.48
TEK Q02763 1/20 0.48
MAPT P10636 3/20 0.47
APEX1 P27695 2/20 0.47
RAF1 P04049 2/20 0.45
KDM4E B2RXH2 1/20 0.44
CSF1R P07333 1/20 0.44
SRC P12931 2/20 0.43
KIT P10721 1/20 0.43
ESYT2 A0FGR8 1/20 0.42
HACL2 A1L0T0 1/20 0.42
NBAS A2RRP1 1/20 0.42
GTPBP10 A4D1E9 1/20 0.42
CNOT1 A5YKK6 1/20 0.42
TBKBP1 A7MCY6 1/20 0.42
AGPS O00116 1/20 0.42

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
SCHEMBL1454904 0.91 POLB (0.51) POLBBRAFKDRLCKMAPK14
SCHEMBL1454672 0.90 BRAF (0.48) POLBBRAFKDRAURKAABL1
SCHEMBL1454720 0.89 PIM1 (0.44) BRAFKDRMAPK14TEKRAF1
SCHEMBL1455176 0.87 POLB (0.49) POLBBRAFKDRLCKMAPK14
SCHEMBL1455179 0.86 KCNQ3 (0.45) BRAFKDRAURKAALDH1A1LMNA
SCHEMBL1454780 0.85 PIM1 (0.45) BRAFKDRTEKAURKAABL1
SCHEMBL1454471 0.84 PIM1 (0.42) POLBBRAFMAPK14PIM1AKT2
SCHEMBL1454908 0.83 EGFR (0.48) POLBBRAFKDRMAPTCSF1R
SCHEMBL1455417 0.83 BRAF (0.46) BRAFKDRMAPK14MAPTKDM4E
SCHEMBL1455215 0.83 PIM1 (0.41) BRAFMAPK14AURKAABL1EGFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 POLB 442/4885BRAF 4226/4885KDR 3293/4885

“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.