SCHEMBL1916656

SCHEMBL1916656

CN(C)CC(=O)N1CCC(N(C)c2nc(Nc3ccc(Cl)c(Cl)c3)ncc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.54
BRD4 O60885 1/20 0.44
CYP1A2 P05177 1/20 0.44
CNR2 P34972 1/20 0.44
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
EPHX2 P34913 1/20 0.43
CHEK1 O14757 6/20 0.41
FLT3 P36888 6/20 0.41
KIT P10721 3/20 0.41
MAP3K7 O43318 1/20 0.41
RPS6KB1 P23443 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
KCNH2 Q12809 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
NTRK1 P04629 1/20 0.41
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
PTK2 Q05397 2/20 0.41

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
SCHEMBL1916419 0.86 JAK3 (0.53) JAK3BRD4CHEK1PTK2PTK2B
SCHEMBL1916599 0.83 JAK3 (0.56) JAK3BRD4CYP1A2CNR2FLT3
SCHEMBL6635999 0.81 JAK3 (0.54) JAK3CYP1A2CNR2CHEK1FLT3
SCHEMBL3285060 0.79 JAK3 (0.47) JAK3CYP1A2CNR2CHEK1FLT3
SCHEMBL1917849 0.78 JAK3 (0.47) JAK3BRD4CYP1A2CNR2CHEK1
SCHEMBL1917545 0.77 JAK3 (0.49) JAK3CYP1A2CNR2FLT3KIT
SCHEMBL1918053 0.76 CHEK1 (0.47) JAK3BRD4CYP1A2CNR2CHEK1
SCHEMBL1917604 0.75 STK17A (0.43) JAK3BRD4CYP1A2JAK2JAK1
SCHEMBL1918614 0.75 JAK3 (0.58) JAK3BRD4CHEK1PTK2LCK
SCHEMBL1918411 0.75 JAK3 (0.49) JAK3CYP1A2CNR2KCNH2PTK2

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 1209/4885BRD4 2169/4885CYP1A2 416/4885
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 497/4885BRD4 2420/4885CYP1A2 224/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD JAK3 1209/4885BRD4 2169/4885CYP1A2 416/4885

“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.