SCHEMBL6398237

SCHEMBL6398237

CN1CCCN(c2nnc(-c3ccc(F)c(F)c3Nc3ccc(I)cc3F)o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 16/20 0.46
MAP2K1 Q02750 16/20 0.46
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDR P35968 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
SCHEMBL6230497 0.87 KCNH2 (0.38) MAP2K2MAP2K1KCNH2SCN5ABCHE
SCHEMBL6207744 0.85 KCNH2 (0.41) MAP2K2MAP2K1KCNH2SCN5A
SCHEMBL6406131 0.84 MAP2K1 (0.47) MAP2K2MAP2K1KCNH2
SCHEMBL6206922 0.84 BCHE (0.37) MAP2K2MAP2K1KCNH2SCN5ABCHE
SCHEMBL6401156 0.82 MAP2K1 (0.42) MAP2K2MAP2K1KCNH2
SCHEMBL6401090 0.81 MAP2K1 (0.48) MAP2K2MAP2K1KCNH2
SCHEMBL6187710 0.80 MAP2K1 (0.41) MAP2K2MAP2K1
SCHEMBL6207211 0.79 BCHE (0.37) MAP2K2MAP2K1BCHEACHEBACE1
SCHEMBL6206494 0.78 MAP2K2 (0.38) MAP2K2MAP2K1KCNH2
SCHEMBL6404616 0.76 BCHE (0.37) MAP2K2MAP2K1BCHEACHEBACE1

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 MAP2K2 40/4885MAP2K1 46/4885KCNH2 3852/4885

“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.