SCHEMBL3884632

SCHEMBL3884632

Fc1cc(I)ccc1Nc1cnccc1-c1nnc(N2CCOCC2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAP2K1 Q02750 7/20 0.38
MAP2K2 P36507 2/20 0.38
PRKCZ Q05513 1/20 0.38
IARS2 Q9NSE4 1/20 0.38
RPS6KA3 P51812 2/20 0.37
RPS6KA2 Q15349 1/20 0.37
RPS6KA1 Q15418 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
MAPK14 Q16539 1/20 0.36
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL5477866 0.81 CHRNA7 (0.42) KDM4ENPC1RAB9AMAP2K1MAP2K2
SCHEMBL5486394 0.80 CHRNA7 (0.46)
SCHEMBL3883718 0.79 MAP2K1 (0.42) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL5481054 0.79 MAP2K1 (0.42) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL5477603 0.77 MAP2K1 (0.41) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL5486405 0.76 MAP2K1 (0.40) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL3883639 0.76 MAP2K1 (0.40) KDM4ENPC1RAB9AMAP2K1MAP2K2
SCHEMBL27905778 0.76 MAP2K1 (0.42) MAP2K1MAP2K2PRKCZIARS2IDO1
SCHEMBL5481765 0.75 CHRNA7 (0.44) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL5485682 0.74 CHRNA7 (0.45) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013180-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS Laboratoires Serono SA (CH) 2009-01-14 EP claimed
US-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 US claimed
WO-2007123936-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS LABORATOIRES SERONO SA (CH) 2007-11-01 WO 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
EP-2013180-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS Laboratoires Serono SA (CH) 2009-01-14 EP 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
WO-2007123936-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS LABORATOIRES SERONO SA (CH) 2007-11-01 WO disclosed
WO-2007123936-A1 NOVEL HETEROARYL-SUBSTITUTED ARYLAMINOPYRIDINE DERIVATIVES AS MEK INHIBITORS LABORATOIRES SERONO SA (CH) 2007-11-01 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-20070287737-A1 Novel heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors NRAS, MAP3K5, MAP3K1 KDM4E 844/4885NPC1 2736/4885RAB9A 1383/4885

“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.