SCHEMBL3739264

SCHEMBL3739264

CN1C(N)c2ccc(-c3c(N4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)cccc3C(F)(F)F)nc2N(OC(=O)C(F)(F)F)C1N

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.34
DPP8 Q6V1X1 6/20 0.32
DPP7 Q9UHL4 5/20 0.32
DPP4 P27487 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
DRD3 P35462 1/20 0.32
TSHR P16473 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MGLL Q99685 2/20 0.31
CYP3A4 P08684 1/20 0.30
CYP3A5 P20815 1/20 0.30
MAPT P10636 1/20 0.30
DGKI O75912 1/20 0.30
DGKA P23743 1/20 0.30
DGKZ Q13574 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
SCHEMBL3737677 0.90 HRH3 (0.38) PTPN1DPP7DPP4DRD3HRH3
SCHEMBL3729137 0.89 PTPN1 (0.38) PTPN1DPP7DPP4HTR2ADRD3
SCHEMBL3742939 0.86 PTPN1 (0.36) PTPN1DPP7DPP4HTR2ADRD3
SCHEMBL3728966 0.86 PTPN1 (0.36) PTPN1DRD2DRD4HTR2AHTR7
SCHEMBL3734684 0.86 PTPN1 (0.46) PTPN1CYP3A4
SCHEMBL3739294 0.84 PTPN1 (0.36) PTPN1DPP7DPP4HRH3
SCHEMBL3739143 0.84 PTPN1 (0.37) PTPN1DPP7DPP4HRH3
SCHEMBL3729830 0.81 PTPN1 (0.34) PTPN1DPP7DPP4MAPT
SCHEMBL3737191 0.81 CYP2C9 (0.39) PTPN1MAPT
SCHEMBL3735149 0.81 PTPN1 (0.38) PTPN1

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 PTPN1 2/4885DPP8 283/4885DPP7 124/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP PTPN1 2/4885DPP8 283/4885DPP7 124/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP PTPN1 2/4885DPP8 283/4885DPP7 124/4885

“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.