SCHEMBL1918650

SCHEMBL1918650

O=C1NCCN1CCNc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ncc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.51
CHEK1 O14757 8/20 0.48
FLT3 P36888 8/20 0.48
MERTK Q12866 4/20 0.47
AXL P30530 1/20 0.47
TYRO3 Q06418 1/20 0.47
FGFR1 P11362 1/20 0.47
IGF1R P08069 1/20 0.46
CDK2 P24941 2/20 0.44
CCNE1 P24864 1/20 0.44
ULK1 O75385 1/20 0.44
ULK2 Q8IYT8 1/20 0.44
KIT P10721 2/20 0.44
PTK2 Q05397 1/20 0.44
PTK2B Q14289 1/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
AURKA O14965 1/20 0.43
RPS6KA5 O75582 1/20 0.43
RPS6KA4 O75676 1/20 0.43

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
SCHEMBL1916857 0.86 CHEK1 (0.58) LRRK2CHEK1FLT3MERTKAXL
SCHEMBL1916973 0.86 PTK2 (0.48) CHEK1FLT3CDK2KITPTK2
SCHEMBL1917362 0.83 LRRK2 (0.53) LRRK2CHEK1FLT3MERTKFGFR1
SCHEMBL3283787 0.82 STK17A (0.48) CHEK1FLT3CDK2KITPTK2
SCHEMBL3284636 0.82 GAA (0.54) LRRK2CHEK1FLT3MERTKAXL
SCHEMBL3284536 0.79 LRRK2 (0.53) LRRK2CHEK1FLT3MERTKAXL
SCHEMBL3154613 0.77 PTK2B (0.68) LRRK2FLT3AXLFGFR1IGF1R
SCHEMBL4058944 0.76 CA2 (0.57) CHEK1FLT3AXLTYRO3FGFR1
SCHEMBL1917071 0.75 FLT3 (0.53) CHEK1FLT3CDK2KITPTK2
SCHEMBL1917070 0.75 LRRK2 (0.52) LRRK2CHEK1FLT3MERTKAXL

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 LRRK2 2772/4885CHEK1 409/4885FLT3 278/4885
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 LRRK2 3765/4885CHEK1 3237/4885FLT3 343/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD LRRK2 2772/4885CHEK1 409/4885FLT3 278/4885

“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.