SCHEMBL1916599

SCHEMBL1916599

CN(c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F)C1CCC(O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.56
FLT3 P36888 5/20 0.43
KIT P10721 4/20 0.43
CYP1A2 P05177 1/20 0.43
CNR2 P34972 1/20 0.43
ULK1 O75385 6/20 0.41
ULK2 Q8IYT8 2/20 0.41
LCK P06239 2/20 0.41
PTK2 Q05397 4/20 0.41
PTK2B Q14289 1/20 0.40
BRD4 O60885 1/20 0.40
AURKA O14965 1/20 0.39
EGFR P00533 1/20 0.39
NTRK1 P04629 1/20 0.39
CDK1 P06493 1/20 0.39
IGF1R P08069 1/20 0.39
EPHA1 P21709 1/20 0.39
CDK2 P24941 1/20 0.39
BMX P51813 1/20 0.39
CDK6 Q00534 1/20 0.39

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
SCHEMBL6635999 0.88 JAK3 (0.54) JAK3FLT3CYP1A2CNR2ULK1
SCHEMBL1916419 0.87 JAK3 (0.53) JAK3ULK1PTK2PTK2BBRD4
SCHEMBL1918411 0.83 JAK3 (0.49) JAK3CYP1A2CNR2ULK1ULK2
SCHEMBL1916656 0.83 JAK3 (0.54) JAK3FLT3KITCYP1A2CNR2
SCHEMBL1917078 0.80 FLT3 (0.67) FLT3KITULK1ULK2
SCHEMBL1916411 0.80 FLT3 (0.67) FLT3KITULK1ULK2
SCHEMBL1916412 0.80 FLT3 (0.67) FLT3KITULK1ULK2
SCHEMBL1917881 0.79 JAK3 (0.46) JAK3CYP1A2CNR2ULK1ULK2
SCHEMBL1917849 0.79 JAK3 (0.47) JAK3FLT3CYP1A2CNR2ULK1
SCHEMBL1917888 0.78 JAK3 (0.47) JAK3FLT3KITCYP1A2CNR2

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 JAK3 1209/4885FLT3 278/4885KIT 370/4885
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 JAK3 497/4885FLT3 343/4885KIT 171/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD JAK3 1209/4885FLT3 278/4885KIT 370/4885

“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.