SCHEMBL1918690

SCHEMBL1918690

CN(C)C1CCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)ncc2C(F)(F)F)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 19/20 0.63
ULK2 Q8IYT8 5/20 0.63
AURKA O14965 1/20 0.56
EGFR P00533 1/20 0.56
NTRK1 P04629 1/20 0.56
CDK1 P06493 1/20 0.56
IGF1R P08069 1/20 0.56
KIT P10721 1/20 0.56
EPHA1 P21709 1/20 0.56
CDK2 P24941 1/20 0.56
FLT3 P36888 1/20 0.56
BMX P51813 1/20 0.56
JAK3 P52333 1/20 0.56
CDK6 Q00534 1/20 0.56
PAK1 Q13153 1/20 0.56
ALK Q9UM73 1/20 0.56

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
SCHEMBL1917078 0.88 FLT3 (0.67) ULK1ULK2KITFLT3
SCHEMBL1916411 0.88 FLT3 (0.67) ULK1ULK2KITFLT3
SCHEMBL1916896 0.88 FLT3 (0.67) ULK1ULK2AURKAEGFRNTRK1
SCHEMBL1916412 0.88 FLT3 (0.67) ULK1ULK2KITFLT3
SCHEMBL1916344 0.86 ULK1 (0.61) ULK1ULK2KITFLT3
SCHEMBL1916894 0.84 ULK1 (0.66) ULK1ULK2KITFLT3
SCHEMBL1916892 0.84 ULK1 (0.66) ULK1ULK2KITFLT3
SCHEMBL1917398 0.84 ULK1 (0.66) ULK1ULK2KITFLT3
SCHEMBL3290685 0.83 PTK2 (0.70) ULK1ULK2
SCHEMBL26506693 0.83 ULK1 (0.64) ULK1ULK2AURKAEGFRNTRK1

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 ULK1 1959/4885ULK2 2040/4885AURKA 1005/4885
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 ULK1 3079/4885ULK2 4203/4885AURKA 1385/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD ULK1 1959/4885ULK2 2040/4885AURKA 1005/4885

“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.