SCHEMBL6399647

SCHEMBL6399647

Fc1cc(I)ccc1Nc1c(-c2nnc(NCCCCN3CCCC3)o2)ccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 18/20 0.48
KCNH2 Q12809 18/20 0.48
CHRNA1 P02708 2/20 0.43
CYP3A4 P08684 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAP2K2 P36507 2/20 0.42
MAP2K1 Q02750 2/20 0.42

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
SCHEMBL6205441 0.93 CHRNA7 (0.46) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
Hydrochloric Acid SCHEMBL6206110 0.90 CHRNA7 (0.48) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL6207045 0.87 MAP2K2 (0.47) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL29371646 0.87 MAP2K2 (0.47) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL6186483 0.86 MAP2K1 (0.47) MAP2K2MAP2K1
SCHEMBL6207914 0.85 CHRNA7 (0.51) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL6190178 0.85 MAP2K1 (0.46) MAP2K2MAP2K1
SCHEMBL6399813 0.85 MAP2K1 (0.43) MAP2K2MAP2K1
SCHEMBL6187354 0.85 MAP2K1 (0.48) MAP2K2MAP2K1
SCHEMBL21067809 0.84 MAP2K1 (0.46) 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 CHRNA7 4667/4885KCNH2 3852/4885CHRNA1 4381/4885

“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.