SCHEMBL4064193

SCHEMBL4064193

COc1ccc(-c2cnc3nc(NC(=O)C(C)(C)C)nc(N4CCN(C(=O)OCc5ccccc5)CC4)c3c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 6/20 0.49
TLR7 Q9NYK1 5/20 0.47
GAK O14976 1/20 0.43
AAK1 Q2M2I8 2/20 0.42
PDGFRB P09619 4/20 0.40
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38

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
SCHEMBL4068983 0.86 GAK (0.47) TLR9TLR7GAKAAK1PDGFRB
SCHEMBL4063407 0.84 TLR9 (0.45) TLR9TLR7KITNPSR1JAK2
SCHEMBL4069816 0.83 NOS1 (0.46) GAKAAK1GLAKDM4EALDH1A1
SCHEMBL4071736 0.82 GAK (0.51) GAKKITHIF1AALDH1A1MAPT
SCHEMBL4073666 0.82 MAP4K1 (0.47) TLR9TLR7AAK1CYP3A4ALDH1A1
SCHEMBL4062958 0.81 PDGFRB (0.53) PDGFRBKITPDGFRA
SCHEMBL4064198 0.81 AAK1 (0.40) TLR9TLR7AAK1MTORJAK2
SCHEMBL4067399 0.77 ACHE (0.51) AAK1KDM4EALDH1A1MAPTHPGD
SCHEMBL4065230 0.76 ACHE (0.52) AAK1
SCHEMBL5470577 0.73 NOS1 (0.64) TLR9TLR7GAKKDM4EALDH1A1

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 4 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-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

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 TLR9 462/4885TLR7 982/4885GAK 1115/4885

“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.