SCHEMBL4072522

SCHEMBL4072522

Nc1nc(O)c2cc(Br)cnc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 6/20 0.46
DYRK1A Q13627 4/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
ABL1 P00519 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
PRKACA P17612 1/20 0.46
FLT1 P17948 1/20 0.46
LTK P29376 1/20 0.46
GRK5 P34947 1/20 0.46
KDR P35968 1/20 0.46
CSNK1A1 P48729 1/20 0.46

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
SCHEMBL5352607 0.81 DHFR (0.51) DYRK1BDYRK1ACHEK1AURKADAPK3
SCHEMBL24674322 0.81 DYRK1B (0.41) DYRK1BDYRK1ACHEK1AURKADAPK3
SCHEMBL30103920 0.79 SMN1; SMN2 (0.46) DYRK1BDYRK1ACHEK1AURKADAPK3
SCHEMBL25305800 0.79 SMN1; SMN2 (0.46) DYRK1BDYRK1ACHEK1AURKADAPK3
SCHEMBL17022105 0.79 PIK3CA (0.55) DYRK1BDYRK1ACHEK1AURKADAPK3
SCHEMBL13686508 0.79 DHFR (0.43) DHFRPIK3CA
SCHEMBL9381296 0.79 IDO1 (0.39) IDO1DHFRPIK3CAPIK3CG
SCHEMBL9212955 0.75 DHFR (0.33) DHFRPIK3CAPIK3CG
SCHEMBL9799749 0.75 PARP1 (0.35) DHFRPIK3CAPIK3CG
SCHEMBL13686494 0.72 DYRK1B (0.42) DYRK1BDYRK1ACHEK1AURKADAPK3

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 9 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
EP-0265126-B1 Process for the preparation of fused pyridine compounds UNIV PRINCETON (US) 1994-04-13 EP disclosed
US-4988813-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1991-01-29 US disclosed
US-4902796-A 6-alkenyl and ethynyl derivatives of 2-amino-4-hydroxypyrido[2,3-d]pyrimidines THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-02-20 US disclosed
US-4818819-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-04-04 US disclosed
EP-0265126-A2 Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1988-04-27 EP 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 DYRK1B 378/4885DYRK1A 377/4885CHEK1 1577/4885

“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.