SCHEMBL1917025

SCHEMBL1917025

CN(c1ccccn1)c1nc(Nc2ccc3c(C(=O)O)cccc3c2)ncc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.43
GSK3A P49840 4/20 0.43
AURKA O14965 4/20 0.43
PLK1 P53350 2/20 0.40
KDR P35968 6/20 0.39
POLB P06746 1/20 0.39
MAPK8 P45983 4/20 0.39
PTK2 Q05397 3/20 0.39
AURKB Q96GD4 3/20 0.39
DAPK3 O43293 2/20 0.39
JAK2 O60674 2/20 0.39
PRKD3 O94806 2/20 0.39
PAK4 O96013 2/20 0.39
ABL1 P00519 2/20 0.39
RET P07949 2/20 0.39
IGF1R P08069 2/20 0.39
MET P08581 2/20 0.39
PIM1 P11309 2/20 0.39
FLT1 P17948 2/20 0.39
MAPK9 P45984 2/20 0.39

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
SCHEMBL1917051 0.81 PTK2 (0.41) GSK3BGSK3AAURKAPLK1KDR
SCHEMBL1917020 0.78 GSK3B (0.49) GSK3BGSK3AAURKAPLK1KDR
SCHEMBL1917825 0.73 PTK2B (0.49) GSK3BGSK3AAURKAPLK1KDR
SCHEMBL1917047 0.72 SYK (0.47) GSK3BGSK3AAURKAPLK1KDR
SCHEMBL3283643 0.71 GSK3B (0.44) GSK3BGSK3AAURKAKDRMAPK8
SCHEMBL1917609 0.69 PIN1 (0.52) MAPTSMN1; SMN2
SCHEMBL913999 0.67 MAP3K5 (0.53) AURKAMAPK8PTK2AURKBJAK2
SCHEMBL1916261 0.66 GSK3B (0.47) GSK3BGSK3AAURKAABL1JAK3
SCHEMBL1916265 0.66 GSK3B (0.47) GSK3BGSK3AAURKAABL1JAK3
SCHEMBL5310512 0.65 ALDH1A1 (0.49) GSK3BGSK3AAURKAKDRMAPK8

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
EP-2332924-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-06-15 EP disclosed
US-20100152167-A1 PYRIMIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 US disclosed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP disclosed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 EP disclosed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
EP-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 EP disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 US disclosed
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 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 (3 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD GSK3B 1036/4885GSK3A 1259/4885AURKA 1005/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR GSK3B 852/4885GSK3A 1044/4885AURKA 1385/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD GSK3B 1036/4885GSK3A 1259/4885AURKA 1005/4885

“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.