SCHEMBL4065227

SCHEMBL4065227

CCN(c1ccccc1)c1nc(NC(=O)C(C)(C)C)nc2ncc(-c3ccc(OC)c(OC)c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.43
EGFR P00533 2/20 0.41
CSF1R P07333 2/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
AURKB Q96GD4 3/20 0.40
YES1 P07947 2/20 0.40
MAPK1 P28482 2/20 0.40
HIPK1 Q86Z02 1/20 0.40
GAK O14976 2/20 0.39
ADORA1 P30542 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
KIT P10721 3/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37

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
SCHEMBL4069125 0.81 NOS1 (0.52) AAK1EGFRCSF1RDYRK1ADYRK1B
SCHEMBL4067399 0.79 ACHE (0.51) AAK1DYRK1ADYRK1B
SCHEMBL4065230 0.78 ACHE (0.52) AAK1MAPK1
SCHEMBL4065976 0.78 AURKB (0.42) AAK1DYRK1ADYRK1BAURKBYES1
SCHEMBL4065231 0.77 EGFR (0.49) AAK1EGFRDYRK1ADYRK1BAURKB
SCHEMBL4066056 0.76 IDO1 (0.44) AAK1DYRK1ADYRK1BAURKBYES1
SCHEMBL4069816 0.74 NOS1 (0.46) AAK1DYRK1ADYRK1BAURKBYES1
SCHEMBL4062926 0.74 AAK1 (0.46) AAK1DYRK1ADYRK1BAURKBYES1
SCHEMBL4066551 0.73 ABCG2 (0.51) EGFRDYRK1ADYRK1BMAPK1GAK
SCHEMBL4064193 0.73 TLR9 (0.49) AAK1GAKKITMTOR

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 6 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
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 AAK1 2063/4885EGFR 3613/4885CSF1R 3163/4885

“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.