SCHEMBL3737121

SCHEMBL3737121

CN1C(N)=Nc2nc(-c3ccccc3[N+](=O)[O-])ccc2C1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
F2RL3 Q96RI0 1/20 0.39
GSK3B P49841 2/20 0.37
CLK1 P49759 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IKBKB O14920 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 1/20 0.34
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL3734163 0.81 PTPN1 (0.37) PTPN1IKBKBRAB9ASMN1; SMN2NPC1
SCHEMBL3739137 0.80 HSD17B10 (0.38) PTPN1GAAMAOBALDH1A1TDP1
SCHEMBL3727477 0.80 PTPN1 (0.38) PTPN1F2RL3GAAL3MBTL1ALDH1A1
SCHEMBL3734730 0.77 PTPN1 (0.41) PTPN1F2RL3HSD11B1
SCHEMBL3737667 0.76 ASIC3 (0.40) GAAALDH1A1MEN1RAB9AKMT2A
SCHEMBL4374306 0.75 DHFR (0.41) ALDH1A1HPGDADORA1
SCHEMBL3742648 0.72 PTPN1 (0.38) PTPN1
SCHEMBL4380468 0.71 PTPN1 (0.40) PTPN1ALDH1A1
SCHEMBL4528842 0.70 LMNA (0.37) L3MBTL1ALDH1A1TDP1MEN1RAB9A
SCHEMBL3742273 0.69 PTPN1 (0.36) 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 2/4885F2RL3 3980/4885GSK3B 139/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP PTPN1 2/4885F2RL3 3980/4885GSK3B 139/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP PTPN1 2/4885F2RL3 3980/4885GSK3B 139/4885

“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.