SCHEMBL6205424

SCHEMBL6205424

CCc1ccc(Nc2c(-c3nnc(N4CCN(c5ccccn5)CC4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.56
BACE1 P56817 15/20 0.56
BCHE P06276 13/20 0.56
AVPR1A P37288 1/20 0.40
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
CHRNA7 P36544 1/20 0.37

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
SCHEMBL6403567 0.89 BCHE (0.43) ACHEBACE1BCHEMAPT
SCHEMBL6206805 0.88 BCHE (0.39) ACHEBACE1BCHEMAPT
SCHEMBL6207211 0.88 BCHE (0.37) ACHEBACE1BCHENPC1
SCHEMBL6206922 0.87 BCHE (0.37) ACHEBACE1BCHE
SCHEMBL6404616 0.86 BCHE (0.37) ACHEBACE1BCHEMAPT
SCHEMBL6230497 0.84 KCNH2 (0.38) ACHEBACE1BCHE
SCHEMBL6208348 0.84 EEF2K (0.37) ACHEBACE1BCHEMAPT
SCHEMBL6208052 0.81 HRH3 (0.34) ACHEBACE1BCHE
SCHEMBL6207402 0.79 AVPR1A (0.33) ACHEBACE1BCHEAVPR1A
SCHEMBL6207380 0.78 TUBB4A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578736-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL-PHENYLAMINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-09-28 EP claimed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US claimed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO 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 ACHE 2974/4885BACE1 1561/4885BCHE 3693/4885

“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.