SCHEMBL5486375

SCHEMBL5486375

Nc1nnc(-c2ccncc2Nc2ccc(Br)cc2Br)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
IDO1 P14902 3/20 0.39
EGFR P00533 1/20 0.36
TDO2 P48775 2/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
ATAD2 Q6PL18 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
NOTUM Q6P988 2/20 0.31
PIEZO1 Q92508 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGS1 P23219 2/20 0.30
PTGS2 P35354 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5474869 0.88 KMT2A (0.40) DGAT1IDO1EGFRTDO2NPC1
SCHEMBL5474880 0.88 DGAT1 (0.40) DGAT1IDO1EGFRTDO2TP53
SCHEMBL3883718 0.76 MAP2K1 (0.42) IDO1
SCHEMBL5477797 0.76 IDO1 (0.40) IDO1TDO2NPC1RAB9AGAA
SCHEMBL5485313 0.76 TDO2 (0.38) IDO1TDO2NPC1RAB9AATAD2
SCHEMBL2024339 0.69 GAA (0.36) EGFRTP53GAAKDM4CMAPT
SCHEMBL2018545 0.68 KDR (0.38) EGFRGAA
SCHEMBL2029046 0.68 ALOX12 (0.42) EGFRTDO2NPC1RAB9AKDM4C
SCHEMBL14392323 0.67
SCHEMBL15423725 0.66 ALOX15 (0.46) NPC1RAB9AL3MBTL1ALDH1A1MAPT

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 DGAT1 2633/4885IDO1 786/4885EGFR 109/4885

“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.