SCHEMBL6207914

SCHEMBL6207914

CCc1ccc(Nc2c(-c3nnc(NCCCN4CCCC4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 20/20 0.51
KCNH2 Q12809 20/20 0.51
CHRNA1 P02708 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46

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
SCHEMBL6403620 0.93 CHRNA7 (0.48) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL6399220 0.88 CHRNA7 (0.43) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL6399647 0.85 CHRNA7 (0.48) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL6209060 0.84 QPCT (0.38) CHRNA7KCNH2
SCHEMBL6230975 0.84 CHRNA7 (0.34) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL6398977 0.84 KDR (0.34) CHRNA7KCNH2
SCHEMBL6205699 0.84 MAP2K1 (0.37) CHRNA7KCNH2CYP3A4
SCHEMBL6207255 0.83 CHRNA7 (0.33) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL6207867 0.82 CHRNA7 (0.33) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL6205441 0.82 CHRNA7 (0.46) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6

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 5 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-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs CYMABAY THERAPEUTICS, INC. 2005-05-19 US disclosed
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 (2 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
US-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD CHRNA7 3909/4885KCNH2 3635/4885CHRNA1 2808/4885

“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.