SCHEMBL4065976

SCHEMBL4065976

CCCNc1nc(NC(=O)C(C)(C)C)nc2ncc(-c3ccc(OC)c(OC)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.42
YES1 P07947 2/20 0.42
MAPK1 P28482 2/20 0.42
HIPK1 Q86Z02 1/20 0.42
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ACHE P22303 4/20 0.41
APP P05067 3/20 0.41
AAK1 Q2M2I8 4/20 0.41
BCHE P06276 2/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
STK17B O94768 5/20 0.41
FYN P06241 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
SCHEMBL4065230 0.89 ACHE (0.52) MAPK1ACHEAPPAAK1BCHE
SCHEMBL4067399 0.86 ACHE (0.51) DYRK1ADYRK1BACHEAPPAAK1
SCHEMBL4066056 0.85 IDO1 (0.44) AURKBYES1MAPK1DYRK1ADYRK1B
SCHEMBL4065231 0.80 EGFR (0.49) AURKBYES1MAPK1DYRK1ADYRK1B
SCHEMBL4074235 0.80 NOS1 (0.48) DYRK1ADYRK1BAPPFYN
SCHEMBL4066551 0.80 ABCG2 (0.51) MAPK1DYRK1ADYRK1B
SCHEMBL4065227 0.78 AAK1 (0.43) AURKBYES1MAPK1HIPK1DYRK1A
SCHEMBL4069816 0.77 NOS1 (0.46) AURKBYES1MAPK1DYRK1ADYRK1B
SCHEMBL4062926 0.77 AAK1 (0.46) AURKBYES1MAPK1DYRK1ADYRK1B
SCHEMBL4358891 0.77 ACHE (0.62) AURKBYES1MAPK1HIPK1ACHE

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 AURKB 1434/4885YES1 2612/4885MAPK1 1351/4885

“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.