SCHEMBL2084854

SCHEMBL2084854

CCOC(=O)c1cc(-n2nc(C(C)(C)C)cc2N)cc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.43
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 1/20 0.42
MAPK14 Q16539 5/20 0.41
CDK8 P49336 4/20 0.41
CSNK1A1 P48729 2/20 0.41
NTRK1 P04629 1/20 0.41

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
SCHEMBL2025289 0.84 HPGD (0.43) KDM4EL3MBTL1TDP1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL2025286 0.84 HPGD (0.42) KDM4EL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL2082645 0.81 MAPK14 (0.64) MAPK14
SCHEMBL2082596 0.80 NTRK1 (0.47) HPGDMAPK14CDK8CSNK1A1NTRK1
SCHEMBL5548822 0.80 MAPK14 (0.37) CDC25BKDM4EL3MBTL1MAPK1TDP1
SCHEMBL2025620 0.78 MAPK14 (0.48) MAPK14CDK8CSNK1A1MAPK9CDK5
SCHEMBL2082474 0.78 MAPK14 (0.53) MAPK14
SCHEMBL2084403 0.78 MAPK14 (0.55) MAPK14MAPK9
SCHEMBL2082620 0.78 MAPK14 (0.64) MAPTMAPK14MAPK9
SCHEMBL2083268 0.78 MAPK14 (0.64) MAPK14MAPK9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
EP-2942349-A1 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2015-11-11 EP disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 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 (2 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK CDC25B 626/4885KDM4E 1665/4885L3MBTL1 2123/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 CDC25B 1643/4885KDM4E 1061/4885L3MBTL1 1456/4885

“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.