SCHEMBL3729445

SCHEMBL3729445

COc1ccccc1-c1ccc2c(n1)N=C(N)N(C)C2N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.40
PTPN1 P18031 1/20 0.40
TLR8 Q9NR97 1/20 0.40
JAK2 O60674 1/20 0.39
ADORA2A P29274 2/20 0.38
DHFR P00374 1/20 0.38
GRM2 Q14416 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
MAP4K1 Q92918 1/20 0.36
ADORA1 P30542 1/20 0.35
ATR Q13535 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
METAP2 P50579 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL3739137 0.82 HSD17B10 (0.38) PTPN1ALDH1A1GAAMAOAMAOB
SCHEMBL3727477 0.82 PTPN1 (0.38) HSP90AA1HSP90AB1PTPN1TLR8ADORA2A
SCHEMBL4387064 0.82 MAP4K1 (0.40) HSP90AA1HSP90AB1MAP4K1
SCHEMBL4521237 0.79 DHFR (0.43) PTPN1JAK2DHFRALDH1A1ADORA1
SCHEMBL3742648 0.74 PTPN1 (0.38) HSP90AA1HSP90AB1PTPN1
SCHEMBL4377822 0.73 MAP4K1 (0.38) DHFRALDH1A1MAP4K1
SCHEMBL4384578 0.73 ALOX5AP (0.35) MAP4K1
SCHEMBL3742273 0.72 PTPN1 (0.36) PTPN1TLR8
SCHEMBL4386942 0.71 PTPN1 (0.40) PTPN1
SCHEMBL4386872 0.71 MCHR1 (0.36) MAP4K1

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 HSP90AA1 710/4885HSP90AB1 384/4885PTPN1 2/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP HSP90AA1 710/4885HSP90AB1 384/4885PTPN1 2/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP HSP90AA1 710/4885HSP90AB1 384/4885PTPN1 2/4885

“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.