SCHEMBL6205441

SCHEMBL6205441

Fc1cc(I)ccc1Nc1c(-c2nnc(NCCN3CCCCC3)o2)ccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.46
KCNH2 Q12809 15/20 0.46
MAP2K2 P36507 5/20 0.43
MAP2K1 Q02750 5/20 0.43
CHRNA1 P02708 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL6399647 0.93 CHRNA7 (0.48) CHRNA7KCNH2MAP2K2MAP2K1CHRNA1
SCHEMBL29371646 0.92 MAP2K2 (0.47) CHRNA7KCNH2MAP2K2MAP2K1CHRNA1
SCHEMBL6207045 0.92 MAP2K2 (0.47) CHRNA7KCNH2MAP2K2MAP2K1CHRNA1
Hydrochloric Acid SCHEMBL6206110 0.86 CHRNA7 (0.48) CHRNA7KCNH2MAP2K2MAP2K1CHRNA1
SCHEMBL21067809 0.86 MAP2K1 (0.46) MAP2K2MAP2K1
SCHEMBL6207836 0.85 CHRNA7 (0.46) CHRNA7KCNH2MAP2K2MAP2K1CHRNA1
SCHEMBL6187892 0.84 MAP2K1 (0.45) MAP2K2MAP2K1CYP3A4
SCHEMBL6208327 0.84 MAP2K1 (0.52) MAP2K2MAP2K1
SCHEMBL5485682 0.83 CHRNA7 (0.45) CHRNA7KCNH2MAP2K2MAP2K1CHRNA1
SCHEMBL6399412 0.83 MAP2K1 (0.41) CHRNA7KCNH2MAP2K2MAP2K1

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 CHRNA7 4667/4885KCNH2 3852/4885MAP2K2 40/4885

“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.