SCHEMBL2081497

SCHEMBL2081497

COC(=O)C1Cc2ccc(-n3nc(C(C)(C)C)cc3N)cc2CN1C(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.42
PDE4B Q07343 2/20 0.38
PDE4D Q08499 2/20 0.38
TRPV1 Q8NER1 7/20 0.35
MAPK13 O15264 3/20 0.35
MAPK12 P53778 2/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
CDK8 P49336 1/20 0.34
ABL1 P00519 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL2081496 1.00 PTPN1 (0.42) PTPN1PDE4BPDE4DTRPV1MAPK13
SCHEMBL2083770 0.96 PDE4B (0.38) PTPN1PDE4BPDE4DTRPV1MAPK13
SCHEMBL2083767 0.96 PDE4B (0.38) PTPN1PDE4BPDE4DTRPV1MAPK13
SCHEMBL2616976 0.88 PTPN1 (0.55) PTPN1
SCHEMBL2084395 0.79 PTPN1 (0.48) PTPN1PDE4BPDE4D
SCHEMBL2084392 0.79 PTPN1 (0.48) PTPN1PDE4BPDE4D
SCHEMBL2082445 0.79 ABL1 (0.60) MAPK11MAPK14ABL1
SCHEMBL2082449 0.79 ABL1 (0.60) MAPK11MAPK14ABL1
Hydrochloric Acid SCHEMBL2083230 0.78 PTPN1 (0.47) PTPN1PDE4BPDE4D
Hydrochloric Acid SCHEMBL2083227 0.78 PTPN1 (0.47) PTPN1PDE4BPDE4D

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 PTPN1 153/4885PDE4B 949/4885PDE4D 767/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 PTPN1 825/4885PDE4B 827/4885PDE4D 774/4885

“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.