SCHEMBL5481765

SCHEMBL5481765

Fc1cc(I)ccc1Nc1cnccc1-c1nnc(NCCN2CCCC2)o1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 19/20 0.44
KCNH2 Q12809 19/20 0.44
CHRNA1 P02708 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MAP2K2 P36507 1/20 0.37
MAP2K1 Q02750 1/20 0.37
PRKCZ Q05513 1/20 0.37
IARS2 Q9NSE4 1/20 0.37

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
SCHEMBL5485682 0.99 CHRNA7 (0.45) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL5477866 0.93 CHRNA7 (0.42) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL5486394 0.88 CHRNA7 (0.46) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL5483264 0.85 MAP2K1 (0.46) CYP3A4MAP2K2MAP2K1PRKCZIARS2
SCHEMBL5478055 0.83 MAP2K1 (0.38) CHRNA7CYP3A4MAP2K2MAP2K1PRKCZ
SCHEMBL6205441 0.82 CHRNA7 (0.46) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL5479864 0.80 MAP2K1 (0.45) MAP2K2MAP2K1PRKCZIARS2
SCHEMBL5477603 0.80 MAP2K1 (0.41) MAP2K2MAP2K1PRKCZIARS2
SCHEMBL5480959 0.80 TUBB4A (0.41) MAP2K2MAP2K1PRKCZIARS2
SCHEMBL5478784 0.79 MAP2K1 (0.44) MAP2K2MAP2K1PRKCZIARS2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103121996-A Novel heteroaryl-substituted arylaminopyridine derivatives as mek inhibitors SERONO LAB 2013-05-29 CN claimed
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 US disclosed
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 US disclosed
US-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 US disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 US disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 US disclosed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 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-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors NRAS, MAP3K5, MAP3K1 CHRNA7 4850/4885KCNH2 3657/4885CHRNA1 4806/4885

“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.