SCHEMBL6739675

SCHEMBL6739675

COc1cc(-c2ncc(C(F)(F)F)c(C)c2Cl)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.36
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PPOX P50336 1/20 0.33
PTK2 Q05397 1/20 0.32
SRC P12931 1/20 0.32
AURKA O14965 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
GAK O14976 1/20 0.32
ABL1 P00519 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
EPHA2 P29317 1/20 0.32
EPHA4 P54764 1/20 0.32

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
SCHEMBL6745479 0.86 NPC1 (0.38) LRRK2HSP90AA1HSP90AB1ALOX5APFEN1
SCHEMBL6745490 0.85 LRRK2 (0.41) LRRK2HSP90AA1HSP90AB1
SCHEMBL6740532 0.84 PGK1 (0.37) KDR
SCHEMBL6743960 0.82 KDM4E (0.33) ALOX5APFEN1
SCHEMBL6742514 0.82 COMT (0.34)
SCHEMBL6745483 0.81 HSP90AA1 (0.40) LRRK2HSP90AA1HSP90AB1PTK2AURKA
SCHEMBL7672722 0.81 KDM4E (0.40) HSP90AA1ALOX5APFEN1
SCHEMBL6742533 0.78 ASPH (0.41)
SCHEMBL6175607 0.78 ALDH1A1 (0.46) ALOX5APFEN1
SCHEMBL7681163 0.77 HSP90AA1 (0.39) HSP90AA1HSP90AB1PPOXSRCGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US 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-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 LRRK2 3170/4885HSP90AA1 439/4885HSP90AB1 420/4885

“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.