SCHEMBL6207586

SCHEMBL6207586

C[Si](C)(C)C#Cc1ccc(Nc2c(-c3nnc(NCCN4CCOCC4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 3/20 0.42
CHRNA7 P36544 11/20 0.42
KCNH2 Q12809 10/20 0.42
CHRNA1 P02708 2/20 0.41
CYP3A4 P08684 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CSF1R P07333 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35

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
SCHEMBL6207282 0.90 MAP3K8 (0.46) MAP3K8CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL15598681 0.87 CHRNA7 (0.44) MAP3K8CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL6399220 0.85 CHRNA7 (0.43) MAP3K8CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL6207045 0.85 MAP2K2 (0.47) MAP3K8CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL29371646 0.85 MAP2K2 (0.47) MAP3K8CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL6207193 0.85 MAP2K1 (0.35) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL6189558 0.83 CHRNA7 (0.51) MAP3K8CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL6206316 0.83 CHRNA7 (0.43) MAP3K8CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL6206530 0.83 CHRNA7 (0.43) MAP3K8CHRNA7KCNH2CHRNA1CYP3A4
SCHEMBL6189562 0.82 CHRNA7 (0.44) MAP3K8CHRNA7KCNH2CHRNA1CYP3A4

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 3 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 disclosed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US disclosed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO 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 MAP3K8 18/4885CHRNA7 4667/4885KCNH2 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.