SCHEMBL4064191

SCHEMBL4064191

Cc1cccc(Nc2nc(NC(=O)C(C)(C)C)nc3ncc(Br)cc23)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
EGFR P00533 6/20 0.45
ITK Q08881 1/20 0.45
KDR P35968 3/20 0.44
MAPK1 P28482 1/20 0.44
AURKA O14965 2/20 0.43
PDGFRB P09619 2/20 0.42
JAK2 O60674 1/20 0.42
HDAC1 Q13547 1/20 0.42
BRD4 O60885 1/20 0.42
ZAP70 P43403 1/20 0.42
KCNH2 Q12809 1/20 0.42
AURKB Q96GD4 1/20 0.42
ERBB2 P04626 1/20 0.41

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
SCHEMBL8196991 0.82 ADORA1 (0.42) SYKMAPTEGFRKDRPDGFRB
SCHEMBL4065873 0.78 MAPK1 (0.51) TP53MAPTEGFRKDRMAPK1
SCHEMBL4066551 0.76 ABCG2 (0.51) SYKMAPTEGFRKDRMAPK1
SCHEMBL7497665 0.75 ADORA1 (0.42) SYKMAPTKDR
SCHEMBL4068711 0.70 ADORA1 (0.37) MAPTMAPK1
SCHEMBL9123617 0.69 NPSR1 (0.67) KCNH2
SCHEMBL30718955 0.69 NPSR1 (0.67) KCNH2
SCHEMBL4064302 0.69 PDGFRB (0.47) TP53MAPTPDGFRB
SCHEMBL1367436 0.68 PDGFRB (0.63) EGFRKDRPDGFRB
SCHEMBL4066924 0.67 DYRK1B (0.36) MAPTEGFRKDRAURKAPDGFRB

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 8 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
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 SYK 1525/4885TP53 963/4885MAPT 2359/4885

“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.