SCHEMBL1916680

SCHEMBL1916680

O=C(O)C1CCCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)ncc2C(F)(F)F)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.57
ULK1 O75385 13/20 0.56
MAPK3 P27361 1/20 0.55
PTK2B Q14289 2/20 0.53
KIT P10721 3/20 0.51
FLT3 P36888 3/20 0.51
PLK4 O00444 2/20 0.51
CHEK1 O14757 2/20 0.51
AURKA O14965 2/20 0.51
PRKD3 O94806 2/20 0.51
MAP4K4 O95819 2/20 0.51
PAK4 O96013 2/20 0.51
ABL1 P00519 2/20 0.51
NTRK1 P04629 2/20 0.51
INSR P06213 2/20 0.51
FES P07332 2/20 0.51
RET P07949 2/20 0.51
IGF1R P08069 2/20 0.51
MET P08581 2/20 0.51
FGFR1 P11362 2/20 0.51

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
SCHEMBL1916892 0.90 ULK1 (0.66) ULK1KITFLT3ULK2
SCHEMBL1916894 0.90 ULK1 (0.66) ULK1KITFLT3ULK2
SCHEMBL1917398 0.90 ULK1 (0.66) ULK1KITFLT3ULK2
SCHEMBL3283487 0.86 ULK1 (0.59) ULK1PTK2BKITFLT3CHEK1
SCHEMBL1916411 0.82 FLT3 (0.67) ULK1KITFLT3ULK2
SCHEMBL1916412 0.82 FLT3 (0.67) ULK1KITFLT3ULK2
SCHEMBL1917078 0.82 FLT3 (0.67) ULK1KITFLT3ULK2
SCHEMBL1916528 0.81 ULK1 (0.57) ULK1KITFLT3ULK2
SCHEMBL1916896 0.80 FLT3 (0.67) EGFRULK1KITFLT3CHEK1
SCHEMBL3285189 0.80 ULK1 (0.55) ULK1KITFLT3ULK2

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 EGFR 824/4885ULK1 1959/4885MAPK3 2276/4885
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 478/4885ULK1 3079/4885MAPK3 2386/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD EGFR 824/4885ULK1 1959/4885MAPK3 2276/4885

“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.