SCHEMBL2078698

SCHEMBL2078698

CC(Cc1cccc(-n2nc(-c3ccccc3F)cc2N)c1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MAPK14 Q16539 1/20 0.46
MAPT P10636 5/20 0.43
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SCN9A Q15858 3/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
USP19 O94966 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL2079352 0.79 MAPK14 (0.47) POLBMAPK14MAPTTP53RXFP1
SCHEMBL2081384 0.79 MAPK14 (0.78) POLBMAPK14MAPTTP53RXFP1
SCHEMBL2083131 0.76 MAPK14 (0.39) POLBMAPK14MAPTTP53RXFP1
SCHEMBL2079363 0.74 MAPT (0.41) POLBMAPK14MAPTTP53RXFP1
SCHEMBL2079364 0.74 MAPT (0.41) POLBMAPK14MAPTTP53RXFP1
SCHEMBL2085654 0.74 TYK2 (0.46) POLBMAPTTP53RXFP1KDM4E
SCHEMBL2083441 0.73 RAB9A (0.43) POLBMAPK14MAPTTP53RXFP1
SCHEMBL2082148 0.70 NPC1 (0.44) POLBMAPTTP53RXFP1NPC1
SCHEMBL9989813 0.68 SLC1A1 (0.55) SCN9A
SCHEMBL28662062 0.66 ADRB2 (0.45) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 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 (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 POLB 1689/4885MAPK14 128/4885MAPT 3484/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 POLB 760/4885MAPK14 100/4885MAPT 3185/4885

“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.