SCHEMBL4069816

SCHEMBL4069816

COc1ccc(-c2cnc3nc(NC(=O)C(C)(C)C)nc(N4CCCCC4)c3c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.46
STK17B O94768 7/20 0.44
AAK1 Q2M2I8 3/20 0.44
GAK O14976 3/20 0.43
DAPK3 O43293 1/20 0.43
STK17A Q9UEE5 1/20 0.43
DAPK2 Q9UIK4 1/20 0.43
YES1 P07947 1/20 0.42
MAPK1 P28482 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL4073666 0.91 MAP4K1 (0.47) STK17BAAK1YES1MAPK1AURKB
SCHEMBL4071736 0.91 GAK (0.51) GAKMAPTALDH1A1HPGD
SCHEMBL4062958 0.85 PDGFRB (0.53)
SCHEMBL4064298 0.85 ABL1 (0.41) MAPK1MAPTDYRK1AALDH1A1
SCHEMBL4064193 0.83 TLR9 (0.49) AAK1GAKMAPTLMNAKDM4E
SCHEMBL4066056 0.80 IDO1 (0.44) STK17BAAK1DAPK3STK17ADAPK2
SCHEMBL4071679 0.80 NOS1 (0.69) NOS1GAKDYRK1ADYRK1B
SCHEMBL4356715 0.78 PIK3CD (0.50) MAPK1MAPTLMNAPOLBKDM4E
SCHEMBL4065976 0.77 AURKB (0.42) STK17BAAK1YES1MAPK1AURKB
SCHEMBL4062926 0.76 AAK1 (0.46) STK17BAAK1YES1MAPK1AURKB

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 244/4885STK17B 3963/4885AAK1 2063/4885

“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.