SCHEMBL3732060

SCHEMBL3732060

CN1C(N)=Nc2nc(-c3c(N4CCCCC4)cccc3C(F)(F)F)ccc2C1N

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.52
KEAP1 Q14145 1/20 0.33
HTR2B P41595 7/20 0.32
HTR2A P28223 6/20 0.32
HTR2C P28335 6/20 0.32
PRKCA P17252 2/20 0.31
FLT3 P36888 2/20 0.31
GSK3B P49841 2/20 0.31
PRKCQ Q04759 2/20 0.31
NPY5R Q15761 1/20 0.31
DRD4 P21917 1/20 0.31
GRM2 Q14416 1/20 0.31
P2RX7 Q99572 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
SCHEMBL4374699 0.92 PTPN1 (0.44) PTPN1HTR2BHTR2AHTR2CGSK3B
SCHEMBL4374731 0.90 PTPN1 (0.54) PTPN1HTR2BPRKCAFLT3GSK3B
SCHEMBL4389725 0.90 PTPN1 (0.43) PTPN1
SCHEMBL4381212 0.90 PTPN1 (0.43) PTPN1DRD4GRM2
SCHEMBL4374330 0.89 PTPN1 (0.42) PTPN1HTR2BHTR2AHTR2CFLT3
SCHEMBL4376462 0.89 PTPN1 (0.42) PTPN1HTR2BHTR2AHTR2CPRKCA
SCHEMBL3732567 0.87 PTPN1 (0.48) PTPN1KEAP1NPY5R
SCHEMBL3742273 0.86 PTPN1 (0.36) PTPN1HTR2BHTR2AHTR2C
SCHEMBL3732356 0.86 PTPN1 (0.49) PTPN1KEAP1NPY5R
SCHEMBL4381688 0.86 HSD11B1 (0.43) PTPN1HTR2AHTR2CDRD4GRM2

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 2/4885KEAP1 440/4885HTR2B 1971/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP PTPN1 2/4885KEAP1 440/4885HTR2B 1971/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP PTPN1 2/4885KEAP1 440/4885HTR2B 1971/4885

“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.