SCHEMBL6404616

SCHEMBL6404616

CCc1ccc(Nc2c(-c3nnc(N4CCN(CC)CC4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
BACE1 P56817 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.33
MAPT P10636 1/20 0.33
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
GPR4 P46093 1/20 0.31
TSHR P16473 1/20 0.31
MET P08581 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL6207211 0.92 BCHE (0.37) BCHEACHEBACE1IRAK4MAP2K2
SCHEMBL6206922 0.92 BCHE (0.37) BCHEACHEBACE1MAP2K2MAP2K1
SCHEMBL6230497 0.89 KCNH2 (0.38) BCHEACHEBACE1MAP2K2MAP2K1
SCHEMBL6206805 0.89 BCHE (0.39) BCHEACHEBACE1MAPT
SCHEMBL6208348 0.88 EEF2K (0.37) BCHEACHEBACE1MAPTTSHR
SCHEMBL6403567 0.87 BCHE (0.43) BCHEACHEBACE1MAPT
SCHEMBL6205424 0.86 ACHE (0.56) BCHEACHEBACE1MAPT
SCHEMBL6208052 0.85 HRH3 (0.34) BCHEACHEBACE1
SCHEMBL6207402 0.82 AVPR1A (0.33) BCHEACHEBACE1
SCHEMBL6207753 0.80 MAP2K2 (0.34) MAP2K2MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US claimed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 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-20050004186-A1 MEK inhibiting compounds MAPK1, MAP3K1, MAPK3 BCHE 3693/4885ACHE 2974/4885BACE1 1561/4885

“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.