SCHEMBL4066655

SCHEMBL4066655

COc1ccc(-c2cnc3nc(N)nc(N4CCNCC4)c3c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.56
ACVR1 Q04771 6/20 0.55
TGFBR1 P36897 5/20 0.55
MAP4K1 Q92918 3/20 0.52
IL2 P60568 2/20 0.52
TLR9 Q9NR96 1/20 0.48
TLR8 Q9NR97 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
FYN P06241 1/20 0.46
LCK P06239 1/20 0.45
MAP4K3 Q8IVH8 1/20 0.45
DYRK1A Q13627 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
PIK3CA P42336 1/20 0.44
HRH4 Q9H3N8 3/20 0.44
GAK O14976 1/20 0.44
KIT P10721 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
RIPK2 O43353 1/20 0.43
NOD2 Q9HC29 1/20 0.43

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
SCHEMBL4071679 0.89 NOS1 (0.69) NOS1MAP4K1LCKMAP4K3DYRK1A
SCHEMBL4070910 0.88 GAK (0.59) NOS1MAP4K1IL2TLR8TLR7
SCHEMBL4409272 0.82 NOS1 (0.81) NOS1ACVR1TGFBR1MAP4K1IL2
SCHEMBL4071554 0.82 ACHE (0.51) NOS1MAP4K1TLR9TLR7LCK
SCHEMBL4073666 0.80 MAP4K1 (0.47) ACVR1TGFBR1MAP4K1IL2TLR9
SCHEMBL5471488 0.79 NOS1 (0.82) NOS1ACVR1TGFBR1MAP4K1IL2
SCHEMBL6064832 0.78 NOS1 (0.79) NOS1ACVR1TGFBR1MAP4K1IL2
SCHEMBL4063917 0.77 PIK3CA (0.54) NOS1FYNDYRK1ADYRK1BPIK3CA
SCHEMBL4068983 0.77 GAK (0.47) NOS1TLR9TLR7GAK
SCHEMBL4068986 0.75 AAK1 (0.40) NOS1ACVR1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851217-B1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2009-02-11 EP claimed
US-20080312227-A1 Substituted Pyrido(2,3-D) Pyrimidine Derivatives Useful as Medicines for the Treatment of Autoimmune Disorders 4 AZA BIOSCIENCE NV (BE) 2008-12-18 US claimed
EP-1851217-A1 SUBSTITUTED PYRIDO(2,3-D)PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2007-11-07 EP claimed
WO-2006087229-A1 SUBSTITUTED PYRIDO (2 , 3-D) PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2006-08-24 WO claimed
EP-1851217-B1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2009-02-11 EP disclosed
US-20080312227-A1 Substituted Pyrido(2,3-D) Pyrimidine Derivatives Useful as Medicines for the Treatment of Autoimmune Disorders 4 AZA BIOSCIENCE NV (BE) 2008-12-18 US disclosed
EP-1851217-A1 SUBSTITUTED PYRIDO(2,3-D)PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2007-11-07 EP disclosed
WO-2006087229-A1 SUBSTITUTED PYRIDO (2 , 3-D) PYRIMIDINE DERIVATIVES USEFUL AS MEDICINES FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 4 AZA IP NV (BE) 2006-08-24 WO 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 (1 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-20080312227-A1 Substituted Pyrido(2,3-D) Pyrimidine Derivatives Useful as Medicines for the Treatment of Autoimmune Disorders PNPO, TPMT, TNF NOS1 244/4885ACVR1 1633/4885TGFBR1 1235/4885

“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.