SCHEMBL1917347

SCHEMBL1917347

O=C(O)CCC1CCC(CNc2nc(Nc3ccc(Cl)c(Cl)c3)ncc2C(F)(F)F)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.59
FLT3 P36888 12/20 0.55
CYP1A2 P05177 1/20 0.51
CNR2 P34972 1/20 0.51
CHEK1 O14757 5/20 0.49
KIT P10721 1/20 0.46
SOS1 Q07889 1/20 0.45

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
SCHEMBL1916528 0.89 ULK1 (0.57) FLT3KIT
SCHEMBL3283696 0.86 PRKCQ (0.78) PRKCQFLT3CYP1A2CNR2CHEK1
SCHEMBL3286886 0.85 STK17A (0.54) FLT3CHEK1
SCHEMBL3285189 0.84 ULK1 (0.55) FLT3KIT
SCHEMBL1916952 0.84 PRKCQ (0.61) PRKCQFLT3CYP1A2CNR2CHEK1
SCHEMBL1917110 0.83 STK17A (0.58) FLT3CHEK1KIT
SCHEMBL1916416 0.83 CHEK1 (0.69) PRKCQFLT3CHEK1
SCHEMBL1917681 0.82 STK17A (0.57) FLT3CHEK1KIT
SCHEMBL1918051 0.82 FLT3 (0.53) FLT3CYP1A2CNR2KIT
SCHEMBL3285101 0.81 STK17A (0.56) FLT3CHEK1KIT

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-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 PRKCQ 3224/4885FLT3 278/4885CYP1A2 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 PRKCQ 3897/4885FLT3 343/4885CYP1A2 224/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD PRKCQ 3224/4885FLT3 278/4885CYP1A2 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.