SCHEMBL3737677

SCHEMBL3737677

CC(C)N1CCN(c2cccc(C(F)(F)F)c2-c2ccc3c(n2)N(OC(=O)C(F)(F)F)C(N)N(C)C3N)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
PTPN1 P18031 3/20 0.36
PRKCA P17252 1/20 0.32
FLT3 P36888 1/20 0.32
HTR2B P41595 1/20 0.32
GSK3B P49841 1/20 0.32
PRKCQ Q04759 1/20 0.32
RBP4 P02753 2/20 0.31
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
FAAH O00519 1/20 0.30
DRD3 P35462 1/20 0.30
PTK2 Q05397 1/20 0.30
F2 P00734 1/20 0.30
F12 P00748 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3729137 0.93 PTPN1 (0.38) PTPN1PRKCAFLT3HTR2BGSK3B
SCHEMBL3742939 0.91 PTPN1 (0.36) PTPN1RBP4DPP4DPP7FAAH
SCHEMBL3728966 0.90 PTPN1 (0.36) PTPN1FLT3RBP4FAAHDRD3
SCHEMBL3734684 0.90 PTPN1 (0.46) PTPN1PRKCAFLT3HTR2BGSK3B
SCHEMBL3739264 0.90 PTPN1 (0.34) HRH3PTPN1DPP4DPP7DRD3
SCHEMBL3739294 0.88 PTPN1 (0.36) HRH3PTPN1PRKCAFLT3HTR2B
SCHEMBL3739143 0.88 PTPN1 (0.37) HRH3PTPN1DPP4DPP7F12
SCHEMBL3737191 0.85 CYP2C9 (0.39) PTPN1HTR2B
SCHEMBL3739069 0.85 PTPN1 (0.31) PTPN1HTR2B
SCHEMBL3729830 0.84 PTPN1 (0.34) PTPN1DPP4DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP claimed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 EP claimed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO claimed
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 US disclosed
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP disclosed
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 US disclosed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 EP disclosed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 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 (3 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-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP HRH3 4753/4885PTPN1 2/4885PRKCA 310/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP HRH3 4753/4885PTPN1 2/4885PRKCA 310/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP HRH3 4753/4885PTPN1 2/4885PRKCA 310/4885

“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.