SCHEMBL5477603

SCHEMBL5477603

CNc1nnc(-c2ccncc2Nc2ccc(I)cc2F)o1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.41
MAP2K2 P36507 3/20 0.41
PRKCZ Q05513 1/20 0.41
IARS2 Q9NSE4 1/20 0.41
ALOX15 P16050 1/20 0.36
FLT1 P17948 2/20 0.35
KDR P35968 1/20 0.35
NUDT1 P36639 1/20 0.35
IDO1 P14902 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
SCHEMBL5486451 0.86 MAP2K1 (0.44) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL5481054 0.86 MAP2K1 (0.42) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL5483264 0.84 MAP2K1 (0.46) MAP2K1MAP2K2PRKCZIARS2KDR
SCHEMBL3883718 0.84 MAP2K1 (0.42) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL5478055 0.84 MAP2K1 (0.38) MAP2K1MAP2K2PRKCZIARS2FLT1
SCHEMBL5486405 0.83 MAP2K1 (0.40) MAP2K1MAP2K2PRKCZIARS2FLT1
SCHEMBL3883639 0.83 MAP2K1 (0.40) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL5481450 0.83 MAP2K1 (0.44) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL5479864 0.83 MAP2K1 (0.45) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL3883814 0.82 MAP2K1 (0.43) MAP2K1MAP2K2PRKCZIARS2

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
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 MAP2K1 40/4885MAP2K2 27/4885PRKCZ 1154/4885

“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.