SCHEMBL6207255

SCHEMBL6207255

CCc1ccc(Nc2c(-c3nnc(NCCCCCC#N)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.33
KCNH2 Q12809 11/20 0.33
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CHRNA1 P02708 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
KDR P35968 2/20 0.31
FLT1 P17948 1/20 0.30

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
SCHEMBL6230975 0.86 CHRNA7 (0.34) CHRNA7KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL6398977 0.85 KDR (0.34) CHRNA7KCNH2KDRFLT1
SCHEMBL6205699 0.85 MAP2K1 (0.37) CHRNA7KCNH2CYP3A4KDRFLT1
SCHEMBL6207867 0.84 CHRNA7 (0.33) CHRNA7KCNH2CYP3A4CHRNA1CHRNB2
SCHEMBL6399685 0.83 ELANE (0.36) CYP3A4KDRFLT1
SCHEMBL6207914 0.83 CHRNA7 (0.51) CHRNA7KCNH2CYP3A4CHRNA1CHRNB2
SCHEMBL6186306 0.82 CHRNA7 (0.30) CHRNA7KCNH2CYP3A4KDRFLT1
SCHEMBL6207184 0.82 FLT1 (0.39) KDRFLT1
SCHEMBL6207302 0.81 PDCD1 (0.39) CHRNA7KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL6403620 0.81 CHRNA7 (0.48) CHRNA7KCNH2CYP3A4CYP2C9CYP2C19

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 6 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
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 CHRNA7 4667/4885KCNH2 3852/4885CYP3A4 2363/4885

“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.