SCHEMBL6745490

SCHEMBL6745490

COc1cc(-c2ncc(C(F)(F)F)c(C)c2Cl)c(F)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.41
AR P10275 12/20 0.40
PGR P06401 2/20 0.40
EGFR P00533 2/20 0.38
ERBB2 P04626 1/20 0.38
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL6739675 0.85 LRRK2 (0.36) LRRK2HSP90AA1HSP90AB1
SCHEMBL8444573 0.75 AR (0.36) LRRK2ARPGREGFRERBB2
SCHEMBL6740532 0.75 PGK1 (0.37) EGFR
SCHEMBL6742514 0.72 COMT (0.34)
SCHEMBL6743960 0.72 KDM4E (0.33)
SCHEMBL6745479 0.72 NPC1 (0.38) LRRK2HSP90AA1HSP90AB1
SCHEMBL6743036 0.72 HSD11B1 (0.40)
SCHEMBL6745504 0.72 HSD11B1 (0.48)
SCHEMBL6745483 0.69 HSP90AA1 (0.40) LRRK2HSP90AA1HSP90AB1
SCHEMBL6742533 0.69 ASPH (0.41)

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 3170/4885AR 4028/4885PGR 4565/4885

“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.