SCHEMBL4063407

SCHEMBL4063407

CC(C)(C)C(=O)Nc1nc(N2CCN(C(=O)OCc3ccccc3)CC2)c2cc(Br)cnc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 5/20 0.45
TLR7 Q9NYK1 3/20 0.42
HDAC1 Q13547 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TGM2 P21980 2/20 0.40
TGM1 P22735 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
SLC29A1 Q99808 1/20 0.40
GRIN2B Q13224 1/20 0.39
JAK2 O60674 1/20 0.38
KIT P10721 1/20 0.38
F13A1 P00488 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 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
SCHEMBL4064193 0.84 TLR9 (0.49) TLR9TLR7HDAC1JAK2KIT
SCHEMBL4064302 0.78 PDGFRB (0.47) SMN1; SMN2KITNPSR1P2RY12
SCHEMBL31330789 0.74 TRPA1 (0.46) HDAC1MEN1KMT2ATGM2TGM1
SCHEMBL2418264 0.74 TRPA1 (0.46) HDAC1MEN1KMT2ATGM2TGM1
SCHEMBL20425032 0.71 MEN1 (0.53) HDAC1MEN1KMT2ATGM2TGM1
SCHEMBL617560 0.71 GRIN2B (0.45) TGM2TGM1SMN1; SMN2GRIN2BF13A1
SCHEMBL6478335 0.70 HDAC1 (0.61) HDAC1MEN1KMT2ATGM2TGM1
SCHEMBL4068983 0.69 GAK (0.47) TLR9TLR7HDAC1SMN1; SMN2NPSR1
SCHEMBL617505 0.68 GRIN2B (0.57) GRIN2B
SCHEMBL2708791 0.68 MEN1 (0.47) HDAC1MEN1KMT2ASMN1; SMN2SLC29A1

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 TLR9 462/4885TLR7 982/4885HDAC1 4092/4885

“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.