SCHEMBL2084392

SCHEMBL2084392

COC(=O)C1Cc2ccc(N)cc2CN1C(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.48
MMP8 P22894 8/20 0.44
MMP3 P08254 5/20 0.44
NR1H2 P55055 1/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
MMP9 P14780 2/20 0.41
MMP1 P03956 1/20 0.41
ADAM17 P78536 1/20 0.41
ADAM9 Q13443 1/20 0.41
AGTR2 P50052 1/20 0.39
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36

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
SCHEMBL2084395 1.00 PTPN1 (0.48) PTPN1MMP8MMP3NR1H2PDE4B
Hydrochloric Acid SCHEMBL2083230 0.99 PTPN1 (0.47) PTPN1MMP8MMP3NR1H2PDE4B
Hydrochloric Acid SCHEMBL2083227 0.99 PTPN1 (0.47) PTPN1MMP8MMP3NR1H2PDE4B
SCHEMBL6397202 0.83 PTPN1 (0.68) PTPN1MMP8MMP3NR1H2
SCHEMBL18264880 0.83 PTPN1 (0.68) PTPN1MMP8MMP3NR1H2
SCHEMBL2084434 0.82 MMP8 (0.48) PTPN1MMP8MMP3PDE4BPDE4D
SCHEMBL2084435 0.82 MMP8 (0.48) PTPN1MMP8MMP3PDE4BPDE4D
SCHEMBL2081497 0.79 PTPN1 (0.42) PTPN1PDE4BPDE4D
SCHEMBL2081496 0.79 PTPN1 (0.42) PTPN1PDE4BPDE4D
SCHEMBL2083770 0.75 PDE4B (0.38) 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 153/4885MMP8 90/4885MMP3 589/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 PTPN1 825/4885MMP8 136/4885MMP3 638/4885

“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.