SCHEMBL2617023

SCHEMBL2617023

COC(=O)C1(C)Cc2ccc(-n3nc(C(C)(C)C)cc3N)cc2CN1C(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.33
TRPV1 Q8NER1 7/20 0.33
MAPK14 Q16539 8/20 0.32
MAPK13 O15264 7/20 0.32
MAPK12 P53778 6/20 0.32
MAPK11 Q15759 6/20 0.32
DDR2 Q16832 2/20 0.31
PTGS1 P23219 1/20 0.30
SRC P12931 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL2079230 1.00 CDK8 (0.33) CDK8TRPV1MAPK14MAPK13MAPK12
SCHEMBL2081646 0.79 MAPK14 (0.58) MAPK14MAPK11ABL1
Hydrochloric Acid SCHEMBL2082291 0.79 NR1H2 (0.37)
SCHEMBL2080666 0.78 PTPN1 (0.31) CDK8TRPV1
SCHEMBL2080663 0.78 NR1H2 (0.36) CDK8TRPV1MAPK14MAPK13MAPK12
SCHEMBL2081496 0.76 PTPN1 (0.42) CDK8TRPV1MAPK14MAPK13MAPK12
SCHEMBL2081497 0.76 PTPN1 (0.42) CDK8TRPV1MAPK14MAPK13MAPK12
SCHEMBL2083770 0.74 PDE4B (0.38) CDK8TRPV1MAPK14MAPK13MAPK12
SCHEMBL2083767 0.74 PDE4B (0.38) CDK8TRPV1MAPK14MAPK13MAPK12
SCHEMBL2083902 0.70 CA12 (0.53) CDK8

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 3 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
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 CDK8 291/4885TRPV1 2872/4885MAPK14 128/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 CDK8 241/4885TRPV1 2537/4885MAPK14 100/4885

“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.