SCHEMBL1916487

SCHEMBL1916487

NC1CCC(Nc2nc(Nc3ccc(C(=O)O)cc3)ncc2C(F)(F)F)CC1

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 15/20 0.85
KIT P10721 14/20 0.85
AURKA O14965 1/20 0.79
EGFR P00533 1/20 0.79
NTRK1 P04629 1/20 0.79
CDK1 P06493 1/20 0.79
IGF1R P08069 1/20 0.79
EPHA1 P21709 1/20 0.79
CDK2 P24941 1/20 0.79
BMX P51813 1/20 0.79
JAK3 P52333 1/20 0.79
CDK6 Q00534 1/20 0.79
PAK1 Q13153 1/20 0.79
ALK Q9UM73 1/20 0.79
ULK1 O75385 3/20 0.68
ULK2 Q8IYT8 1/20 0.68
CHEK1 O14757 6/20 0.65
GSK3A P49840 1/20 0.65
GSK3B P49841 1/20 0.65

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
SCHEMBL28519550 0.92 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1
SCHEMBL28522032 0.92 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1
SCHEMBL28512190 0.89 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1
SCHEMBL1916480 0.88 KIT (0.70) FLT3KITAURKAEGFRNTRK1
SCHEMBL1916483 0.88 KIT (0.70) FLT3KITAURKAEGFRNTRK1
SCHEMBL28507163 0.87 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1
SCHEMBL28512968 0.86 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1
SCHEMBL28517796 0.86 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1
SCHEMBL17545176 0.84 ULK1 (0.88) FLT3KITULK1ULK2
SCHEMBL28515711 0.84 FLT3 (1.00) FLT3KITAURKAEGFRNTRK1

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 FLT3 278/4885KIT 370/4885AURKA 1005/4885
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 FLT3 343/4885KIT 171/4885AURKA 1385/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD FLT3 278/4885KIT 370/4885AURKA 1005/4885

“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.