SCHEMBL1916783

SCHEMBL1916783

CC(=O)NCCNc1nc(Cl)ncc1C(F)(F)F.CC(=O)NCCNc1nc(Nc2cccc(C(=O)O)c2)ncc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 11/20 0.55
CHEK1 O14757 2/20 0.51
FLT3 P36888 2/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
EGFR P00533 1/20 0.49
BTK Q06187 1/20 0.49
AURKA O14965 1/20 0.48
NTRK1 P04629 3/20 0.47
STK17A Q9UEE5 1/20 0.46

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
SCHEMBL3283007 0.95 PTK2 (0.60) PTK2CHEK1FLT3GSK3AGSK3B
SCHEMBL5348966 0.88 PTK2 (0.51) PTK2CHEK1FLT3EGFRBTK
SCHEMBL3282403 0.87 PTK2 (0.60) PTK2CHEK1FLT3EGFRBTK
SCHEMBL3288100 0.86 PRKCQ (0.58) PTK2CHEK1FLT3STK17A
SCHEMBL1917019 0.86 PTK2 (0.62) PTK2CHEK1FLT3NTRK1
SCHEMBL3286702 0.85 PTK2 (0.61) PTK2CHEK1FLT3
SCHEMBL3282684 0.84 PTK2 (0.57) PTK2CHEK1FLT3GSK3AGSK3B
SCHEMBL3283893 0.84 CHEK1 (0.63) PTK2CHEK1FLT3GSK3AGSK3B
SCHEMBL1916718 0.84 PTK2 (0.62) PTK2CHEK1FLT3EGFRBTK
SCHEMBL3282413 0.84 CHEK1 (0.56) PTK2CHEK1FLT3EGFR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (1 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-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 PTK2 1110/4885CHEK1 3237/4885FLT3 343/4885

“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.