SCHEMBL3425129

SCHEMBL3425129

COC(=O)c1cc(C#N)c(F)c(F)c1Nc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
STK4 Q13043 1/20 0.43
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 4/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
CSF1R P07333 1/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL3969081 0.88 SRC (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL16324125 0.87 KDM4E (0.44) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL3426579 0.85 MAP2K1 (0.49) ALDH1A1HPGD
SCHEMBL1341552 0.84 KDM4E (0.41) KDM4ESTK4ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL16803294 0.81 KDM4E (0.39) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL1341502 0.81 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2HPGDCSF1R
SCHEMBL1342821 0.81 KDM4E (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL19367435 0.81 KDM4E (0.47) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL22557782 0.78 KDM4E (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL15129379 0.77 KDM4E (0.48) KDM4EALDH1A1HSD17B10SMN1; SMN2HPGD

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
EP-1689233-B1 BICYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2012-07-04 EP disclosed
US-7772234-B2 7-(2,4-Dichlorophenylamino)-8-fluoro-4-methyl-cinnoline-6-carboxylic acid (2-hydroxyethoxy)-amide; mitogen activated protein, extracellular signal regulated kinase, kinase inhibitor; cancer and inflammation ARRAY BIOPHARMA INC. (US) 2010-08-10 US disclosed
EP-1689233-A4 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-08-29 EP disclosed
EP-1689233-A2 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-08-16 EP disclosed
US-20050130976-A1 Bicyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051302-A2 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 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-20050130976-A1 Bicyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 KDM4E 960/4885STK4 1014/4885ALDH1A1 2018/4885

“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.