SCHEMBL3336814

SCHEMBL3336814

O=C1CCCN1CCCNc1nc(Nc2ccc3cn[nH]c3c2)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 10/20 0.49
STK17A Q9UEE5 10/20 0.49
PDGFRA P16234 7/20 0.47
PDGFRB P09619 6/20 0.47
FGFR1 P11362 3/20 0.47
AURKA O14965 2/20 0.47
DAPK3 O43293 2/20 0.47
JAK2 O60674 2/20 0.47
PRKD3 O94806 2/20 0.47
MAP4K4 O95819 2/20 0.47
PAK4 O96013 2/20 0.47
NTRK1 P04629 2/20 0.47
LCK P06239 2/20 0.47
FYN P06241 2/20 0.47
CSF1R P07333 2/20 0.47
RET P07949 2/20 0.47
IGF1R P08069 2/20 0.47
MET P08581 2/20 0.47
PRKACA P17612 2/20 0.47
FLT1 P17948 2/20 0.47

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
SCHEMBL1917653 0.90 EGFR (0.55) STK17BSTK17APDGFRAPDGFRBFGFR1
SCHEMBL1917901 0.90 PDGFRB (0.54) STK17APDGFRAPDGFRBFGFR1WEE1
SCHEMBL3338917 0.87 CHEK1 (0.51) AURKAWEE1FLT3RPS6KA3PTK2
SCHEMBL1917173 0.80 AXL (0.51) STK17BSTK17ATYRO3KDM4EALDH1A1
SCHEMBL1916691 0.79 STK17A (0.52) STK17BSTK17ANTRK1METKDR
SCHEMBL1917383 0.78 STK17B (0.56) STK17BSTK17AMETFLT3ALK
SCHEMBL1916850 0.78 AXL (0.48) STK17BSTK17AAURKANEK2AURKB
SCHEMBL1917063 0.77 STK17A (0.50) STK17BSTK17ANTRK1METKDR
SCHEMBL1917640 0.77 STK17A (0.49) STK17BSTK17ANTRK1METKDR
SCHEMBL3283870 0.77 CHEK1 (0.53) STK17BSTK17AAURKAFLT3RPS6KA3

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 11 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
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 STK17B 983/4885STK17A 1083/4885PDGFRA 265/4885
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 STK17B 2593/4885STK17A 2304/4885PDGFRA 177/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD STK17B 983/4885STK17A 1083/4885PDGFRA 265/4885

“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.