SCHEMBL3739611

SCHEMBL3739611

CCNc1nc(N)nc(N)c1C=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.36
TLR8 Q9NR97 7/20 0.33
TLR7 Q9NYK1 3/20 0.33
GHSR Q92847 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32

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
SCHEMBL3739911 0.79 MAPT (0.35) MEN1MAPTMAPK1KMT2A
SCHEMBL3737177 0.79 CHUK (0.40) TLR8TLR7GHSRMAPTMAPK1
SCHEMBL4793687 0.79 ALDH1A1 (0.33) MEN1MAPTMAPK1KMT2ACCNA2
SCHEMBL29958178 0.73 LMNA (0.38) MEN1MAPTMAPK1KMT2ACCNA2
SCHEMBL12262375 0.69 NPSR1 (0.36) MAPT
SCHEMBL19414370 0.69 MEN1 (0.50) NLRP3TLR8MEN1MAPK1KMT2A
SCHEMBL17693700 0.69 TLR8 (0.57) TLR8TLR7
SCHEMBL1897611 0.68 TLR8 (0.39) NLRP3TLR8TLR7
SCHEMBL2854701 0.68 TLR8 (0.62) TLR8TLR7
SCHEMBL2848341 0.68 TLR8 (0.52) TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 US disclosed
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 US disclosed
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
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
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 US disclosed
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 US disclosed
CN-101243081-A Pyrido[2,3-d]pyrimidine-2,4-diamine compounds as PTP1B inhibitors HOFFMANN LA ROCHE (CH) 2008-08-13 CN 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
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
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 US 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 NLRP3 625/4885TLR8 3095/4885TLR7 2726/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP NLRP3 625/4885TLR8 3095/4885TLR7 2726/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP NLRP3 625/4885TLR8 3095/4885TLR7 2726/4885

“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.