SCHEMBL6206984

SCHEMBL6206984

CCc1ccc(Nc2c(-c3nnc(CCCN4CCOCC4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 1/20 0.36
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
CHRNA7 P36544 4/20 0.35
FGFR1 P11362 4/20 0.35
FLT1 P17948 4/20 0.35
KDR P35968 4/20 0.35
KCNH2 Q12809 3/20 0.35
EGFR P00533 2/20 0.35
FLT4 P35916 2/20 0.35
CHRNA1 P02708 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHRNB2 P17787 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNA4 P43681 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAPK14 Q16539 2/20 0.34
HTR4 Q13639 1/20 0.34

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 0.87 CHRNA7 (0.48) MAP3K8CHRNA7KCNH2CHRNA1CYP1A2
SCHEMBL6399220 0.85 CHRNA7 (0.43) MAP3K8CHRNA7KCNH2CHRNA1CYP1A2
SCHEMBL6207830 0.84 APLNR (0.33) MAP2K2MAP2K1CYP1A2CYP2C9CYP2C19
SCHEMBL6207753 0.82 MAP2K2 (0.34) MAP2K2MAP2K1FGFR1FLT1KDR
SCHEMBL6398575 0.80 CHI3L1 (0.31)
SCHEMBL6207914 0.80 CHRNA7 (0.51) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL6207211 0.77 BCHE (0.37) MAP2K2MAP2K1
SCHEMBL6207124 0.77 CHRNA7 (0.42) MAP3K8MAP2K1CHRNA7KCNH2CHRNA1
SCHEMBL6190835 0.77 CHRNA7 (0.45) MAP3K8CHRNA7KCNH2CHRNA1CYP1A2
SCHEMBL6206526 0.77 MAP3K8 (0.39) MAP3K8MAP2K2MAP2K1CHRNA7KCNH2

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 MAP3K8 18/4885MAP2K2 40/4885MAP2K1 46/4885

“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.