SCHEMBL4064198

SCHEMBL4064198

COc1ccc(-c2cnc3nc(NC(=O)C(C)(C)C)nc(N4CCNCC4C(=O)OCc4ccccc4)c3c2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.40
STK17B O94768 2/20 0.37
TLR7 Q9NYK1 2/20 0.36
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
JAK2 O60674 1/20 0.35
TLR9 Q9NR96 3/20 0.35
MTOR P42345 1/20 0.34
CHEK1 O14757 1/20 0.34
SMPD3 Q9NY59 1/20 0.34

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
SCHEMBL4068986 0.88 AAK1 (0.40) AAK1STK17B
SCHEMBL4063412 0.86 JAK2 (0.35) TLR7JAK2TLR9
SCHEMBL4062964 0.83 STK17B (0.39) AAK1STK17BDYRK1ADYRK1B
SCHEMBL4064193 0.81 TLR9 (0.49) AAK1TLR7JAK2TLR9MTOR
SCHEMBL4073666 0.80 MAP4K1 (0.47) AAK1STK17BTLR7DYRK1ADYRK1B
SCHEMBL5470579 0.76 NOS1 (0.52) STK17B
SCHEMBL4069816 0.75 NOS1 (0.46) AAK1STK17BDYRK1ADYRK1B
SCHEMBL4071736 0.73 GAK (0.51) JAK2MTOR
SCHEMBL4067399 0.73 ACHE (0.51) AAK1DYRK1ADYRK1B
SCHEMBL4065230 0.72 ACHE (0.52) AAK1

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 AAK1 2063/4885STK17B 3963/4885TLR7 982/4885

“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.