SCHEMBL5474208

SCHEMBL5474208

COc1ccc(Nc2cnccc2-c2nnc(N)o2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 1/20 0.43
EGFR P00533 1/20 0.38
USP2 O75604 1/20 0.37
RPS6KA3 P51812 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
BACE1 P56817 1/20 0.36
DYRK1A Q13627 2/20 0.35
CCNT1 O60563 1/20 0.35
GSK3B P49841 1/20 0.35
CDK9 P50750 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
SCHEMBL5474880 0.83 DGAT1 (0.40) KDM4EEGFRDYRK1AMAPTKDR
SCHEMBL3883718 0.83 MAP2K1 (0.42)
SCHEMBL16657402 0.76 EGFR (0.50) EGFRRPS6KA3CYP1A2CYP3A4CYP2C19
SCHEMBL5477797 0.74 IDO1 (0.40) KDM4EGSK3BNPC1RAB9APTGS1
SCHEMBL5486375 0.74 DGAT1 (0.41) KDM4EEGFRALDH1A1HPGDNPC1
SCHEMBL5474869 0.72 KMT2A (0.40) KDM4EKMT2AEGFRALDH1A1NPC1
SCHEMBL5485313 0.72 TDO2 (0.38) KDM4EPIM1PIM3PIM2DYRK1A
SCHEMBL5481054 0.72 MAP2K1 (0.42)
SCHEMBL3885458 0.70 MAP2K2 (0.49) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5486405 0.70 MAP2K1 (0.40) FLT1KDR

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 7 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
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 844/4885KMT2A 1023/4885EGFR 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.