SCHEMBL4062964

SCHEMBL4062964

COc1ccc(-c2cnc3nc(NC(=O)C(C)(C)C)nc(N4CCNCC4C(=O)Nc4ccc(C)cc4)c3c2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STK17B O94768 7/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
PDPK1 O15530 1/20 0.37
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
DAPK3 O43293 1/20 0.35
STK17A Q9UEE5 1/20 0.35
DAPK2 Q9UIK4 1/20 0.35
CFTR P13569 2/20 0.35
KIT P10721 1/20 0.35
AXL P30530 3/20 0.35
MERTK Q12866 2/20 0.35

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
SCHEMBL4071821 0.85 DYRK1A (0.33) MAPK1DYRK1ADYRK1B
SCHEMBL4064198 0.83 AAK1 (0.40) STK17BAAK1DYRK1ADYRK1B
SCHEMBL4073666 0.81 MAP4K1 (0.47) STK17BMAPK1AAK1IDO1TDO2
SCHEMBL4062958 0.80 PDGFRB (0.53) KIT
SCHEMBL4069816 0.76 NOS1 (0.46) STK17BMAPK1AAK1IDO1TDO2
SCHEMBL4071736 0.75 GAK (0.51) KIT
SCHEMBL4073899 0.72 DHFR (0.36) DYRK1ADYRK1B
SCHEMBL5457330 0.70 NOS1 (0.53) STK17BPDPK1STK17ACFTR
SCHEMBL4106830 0.70 PDPK1 (0.42) MAPK1SMN1; SMN2PDPK1
SCHEMBL4113136 0.70 PDPK1 (0.42) MAPK1SMN1; SMN2PDPK1

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-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

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 STK17B 3963/4885MAPK1 1351/4885SMN1; SMN2 688/4885

“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.