SCHEMBL4069356

SCHEMBL4069356

C1CN2CCN12.CC(C)(C)C(=O)Nc1ncc2cc(Br)cnc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADORA1 P30542 2/20 0.36
CNR2 P34972 1/20 0.35
MAPT P10636 3/20 0.33
BRD4 O60885 2/20 0.33
JAK2 O60674 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
TMIGD3 P0DMS9 1/20 0.32
HPGDS O60760 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TYR P14679 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SSTR4 P31391 1/20 0.31
SYK P43405 1/20 0.31

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 0.74 ADORA1 (0.42) ALDH1A1HPGDSMN1; SMN2ADORA1MAPT
SCHEMBL7497665 0.74 ADORA1 (0.42) ALDH1A1HPGDSMN1; SMN2ADORA1MAPT
SCHEMBL14840326 0.73 L3MBTL1 (0.45) ALDH1A1HPGDSMN1; SMN2ADORA1MAPT
SCHEMBL4064178 0.73 PIK3R1 (0.43) CNR2
SCHEMBL30216052 0.73 MAPT (0.46) SMN1; SMN2ADORA1MAPTPOLBNPC1
SCHEMBL21864813 0.73 MAPT (0.46) SMN1; SMN2ADORA1MAPTPOLBNPC1
SCHEMBL31390052 0.69 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MAPTJAK2KMT2A
SCHEMBL5492504 0.69 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2MAPTJAK2KMT2A
SCHEMBL4068711 0.69 ADORA1 (0.37) ALDH1A1HPGDSMN1; SMN2ADORA1MAPT
SCHEMBL4066924 0.67 DYRK1B (0.36) ALDH1A1HPGDSMN1; SMN2ADORA1MAPT

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 ALDH1A1 1197/4885HPGD 155/4885SMN1; 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.