SCHEMBL3284779

SCHEMBL3284779

CC(=O)NCCNc1nc(Nc2ccc(NC(C)=O)cc2)ncc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.65
CHEK1 O14757 2/20 0.65
PTK2 Q05397 12/20 0.64
KIT P10721 1/20 0.60
STK17A Q9UEE5 1/20 0.56
AURKA O14965 1/20 0.52
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
ULK1 O75385 1/20 0.51
JAK2 O60674 1/20 0.50

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
SCHEMBL1918315 0.91 FLT3 (0.65) FLT3CHEK1PTK2KITSTK17A
SCHEMBL1919055 0.90 STK17A (0.70) FLT3CHEK1PTK2KITSTK17A
SCHEMBL1916375 0.90 FLT3 (0.64) FLT3CHEK1PTK2KITSTK17A
SCHEMBL1916471 0.90 CHEK1 (0.67) FLT3CHEK1PTK2KITSTK17A
SCHEMBL3283893 0.90 CHEK1 (0.63) FLT3CHEK1PTK2STK17AGSK3A
SCHEMBL1916718 0.90 PTK2 (0.62) FLT3CHEK1PTK2JAK2
SCHEMBL1918680 0.89 FLT3 (0.63) FLT3CHEK1PTK2KITSTK17A
SCHEMBL1916885 0.89 CHEK1 (0.68) FLT3CHEK1PTK2STK17AGSK3A
SCHEMBL1916872 0.89 FLT3 (0.60) FLT3CHEK1PTK2AURKAGSK3A
SCHEMBL1918023 0.89 CHEK1 (0.62) FLT3CHEK1PTK2KITSTK17A

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 9 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
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 FLT3 278/4885CHEK1 409/4885PTK2 3366/4885
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 343/4885CHEK1 3237/4885PTK2 1110/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD FLT3 278/4885CHEK1 409/4885PTK2 3366/4885

“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.