SCHEMBL5483313

SCHEMBL5483313

Fc1cc(I)ccc1Nc1cnccc1-c1nnc(NCC2CCCO2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
KCNH3 Q9ULD8 2/20 0.38
SCN5A Q14524 2/20 0.37
MAP2K1 Q02750 4/20 0.37
NLRP3 Q96P20 1/20 0.37
MAP2K2 P36507 1/20 0.37
PRKCZ Q05513 1/20 0.37
IARS2 Q9NSE4 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
TNK2 Q07912 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ROCK2 O75116 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 2/20 0.35
LMNA P02545 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
SCHEMBL5480959 0.85 TUBB4A (0.41) KCNH3MAP2K1NLRP3MAP2K2PRKCZ
SCHEMBL5479957 0.78 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAP2K1MAP2K2
SCHEMBL5479945 0.77 MAP2K1 (0.42) NPC1RAB9ASMN1; SMN2POLBMAP2K1
SCHEMBL3886040 0.74 MAP2K1 (0.43) RAB9ASMN1; SMN2MAP2K1MAP2K2PRKCZ
SCHEMBL12050390 0.74 CYP3A4 (0.54) RAB9ASMN1; SMN2MAP2K1MAP2K2PRKCZ
SCHEMBL6189579 0.70 MAP2K2 (0.41) RAB9ASMN1; SMN2KCNH3MAP2K1MAP2K2
SCHEMBL3886664 0.70 MAP2K1 (0.45) POLBMAP2K1MAP2K2PRKCZIARS2
SCHEMBL12098097 0.68 KCNH3 (0.46) NPC1RAB9ASMN1; SMN2POLBKCNH3
SCHEMBL3890513 0.68 MAP2K1 (0.35) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL5481054 0.67 MAP2K1 (0.42) 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 NPC1 2736/4885RAB9A 1383/4885SMN1; SMN2 4673/4885

“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.