SCHEMBL1917075

SCHEMBL1917075

CN(c1nc(Nc2ccc3c(c2)NC(=O)C3)ncc1[N+](=O)[O-])C1CCC(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.42
INSR P06213 3/20 0.42
PTK2B Q14289 3/20 0.41
PTK2 Q05397 3/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
SYK P43405 1/20 0.39
PLK1 P53350 9/20 0.38
ULK1 O75385 1/20 0.38
AURKB Q96GD4 1/20 0.37
LCK P06239 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL1917073 1.00 KDR (0.42) KDRINSRPTK2BPTK2GSK3A
SCHEMBL1916948 0.81 JAK3 (0.44) KDRPTK2BGSK3AGSK3BSYK
SCHEMBL1916950 0.81 JAK3 (0.44) KDRPTK2BGSK3AGSK3BSYK
SCHEMBL1917745 0.80 SYK (0.45) GSK3AGSK3BSYKPLK1LCK
SCHEMBL1917742 0.80 SYK (0.45) GSK3AGSK3BSYKPLK1LCK
SCHEMBL1916873 0.80 GSK3B (0.46) PTK2BGSK3AGSK3BSYKPLK1
SCHEMBL1916265 0.78 GSK3B (0.47) GSK3AGSK3BLCKJAK3
SCHEMBL1916261 0.78 GSK3B (0.47) GSK3AGSK3BLCKJAK3
SCHEMBL1917090 0.77 EGFR (0.54) KDRINSRSYKPLK1
SCHEMBL1917086 0.77 EGFR (0.54) KDRINSRSYKPLK1

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 10 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
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

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 KDR 607/4885INSR 320/4885PTK2B 1613/4885
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 KDR 130/4885INSR 3/4885PTK2B 954/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD KDR 607/4885INSR 320/4885PTK2B 1613/4885

“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.