SCHEMBL4062168

SCHEMBL4062168

CC(C)(C)C(=O)Nc1nc2ncc(Br)cc2c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 2/20 0.60
DYRK1B Q9Y463 5/20 0.40
DYRK1A Q13627 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
GDA Q9Y2T3 1/20 0.39
RXFP1 Q9HBX9 3/20 0.34
XDH P47989 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL6896283 0.81 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL4062163 0.79 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2HPGDDYRK1BDYRK1A
SCHEMBL14511042 0.76 XDH (0.56) ALDH1A1SMN1; SMN2HPGDXDH
SCHEMBL4063853 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDDYRK1BDYRK1A
SCHEMBL11784276 0.75 CNR1 (0.42) ALDH1A1SMN1; SMN2DYRK1BDYRK1AAURKA
SCHEMBL7497665 0.74 ADORA1 (0.42) ALDH1A1SMN1; SMN2HPGDDYRK1BDYRK1A
SCHEMBL8196991 0.74 ADORA1 (0.42) ALDH1A1SMN1; SMN2HPGDDYRK1BDYRK1A
SCHEMBL6650779 0.73 TYMS (0.62) ALDH1A1SMN1; SMN2HPGD
SCHEMBL24659326 0.73 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2HPGDDYRK1BDYRK1A
SCHEMBL9838320 0.72 KDM4E (0.58) ALDH1A1SMN1; SMN2HPGDKDM4EGAA

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 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 ALDH1A1 1197/4885SMN1; SMN2 688/4885HPGD 155/4885

“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.