SCHEMBL1917010

SCHEMBL1917010

CC(=O)NCCNc1nc(Nc2ccc3cn[nH]c3c2)ncc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.54
FGFR1 P11362 1/20 0.54
SYK P43405 8/20 0.49
PDGFRB P09619 6/20 0.47
PDGFRA P16234 6/20 0.47
STK17A Q9UEE5 2/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
CDK2 P24941 1/20 0.45
FLT3 P36888 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3B P49841 1/20 0.45
CDK7 P50613 1/20 0.45
CDK9 P50750 1/20 0.45
PRKX P51817 1/20 0.45

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
SCHEMBL1916745 0.89 PDGFRB (0.56) SYKPDGFRBPDGFRASTK17A
SCHEMBL1916886 0.88 SYK (0.49) FGFR1SYKPDGFRBPDGFRASTK17A
SCHEMBL3284655 0.86 CHEK1 (0.55) SYKPDGFRBPDGFRASTK17ADAPK3
SCHEMBL14112813 0.83 TBK1 (0.56) SYKSTK17ACDK2GSK3BSTK17B
Hydrochloric Acid SCHEMBL1916478 0.81 STK17A (0.54) STK17ASTK17BTBK1
SCHEMBL3449022 0.79 STK17A (0.59) STK17ASTK17BTBK1
SCHEMBL1917945 0.79 STK17A (0.54) SYKSTK17ACDK2FLT3GSK3B
SCHEMBL3287523 0.78 PTK2 (0.62) SYKSTK17AFLT3
SCHEMBL14163394 0.78 TBK1 (0.51) SYKSTK17ACDK2STK17BTBK1
SCHEMBL6211871 0.78 PTK2 (0.53) EGFRFGFR1SYKPDGFRBPDGFRA

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 EGFR 824/4885FGFR1 286/4885SYK 2248/4885
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 EGFR 478/4885FGFR1 43/4885SYK 918/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD EGFR 824/4885FGFR1 286/4885SYK 2248/4885

“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.