SCHEMBL3886040

SCHEMBL3886040

Nc1nnc(-c2ccncc2Nc2ccc(I)cc2F)s1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.43
MAP2K2 P36507 2/20 0.43
PRKCZ Q05513 1/20 0.43
IARS2 Q9NSE4 1/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
RAB9A P51151 1/20 0.35
MGAM2 Q2M2H8 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
SCHEMBL5479945 0.85 MAP2K1 (0.42) MAP2K1MAP2K2PRKCZIARS2KDM4E
SCHEMBL5485434 0.79 MAP2K1 (0.45) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL3883718 0.78 MAP2K1 (0.42) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL17836550 0.74 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL5483313 0.74 NPC1 (0.38) MAP2K1MAP2K2PRKCZIARS2ALDH1A1
SCHEMBL3888625 0.74 MAP2K1 (0.45) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL5480986 0.74 MAP2K1 (0.43) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL5485309 0.74 MAP2K1 (0.45) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL3956955 0.74 MAP2K1 (0.51) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL5479957 0.74 NPC1 (0.41) MAP2K1MAP2K2PRKCZIARS2ALDH1A1

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
CN-103121996-A Novel heteroaryl-substituted arylaminopyridine derivatives as mek inhibitors SERONO LAB 2013-05-29 CN claimed
CN-103121996-A Novel heteroaryl-substituted arylaminopyridine derivatives as mek inhibitors SERONO LAB 2013-05-29 CN 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-8076486-B2 Heteroaryl-substituted arylaminopyridine derivatives as MEK inhibitors MERCK SERONO S.A. (CH) 2011-12-13 US disclosed
CN-101426766-A Novel heteroaryl substituted arylaminopyridine derivatives as MEK inhibitors SERONO LAB (CH) 2009-05-06 CN 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

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.