SCHEMBL1916627

SCHEMBL1916627

FC(F)(F)c1cnc(Nc2ccc(Cl)c(Cl)c2)nc1NCCCN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.61
FLT3 P36888 12/20 0.54
STK17A Q9UEE5 5/20 0.53
STK17B O94768 3/20 0.51
ULK1 O75385 1/20 0.49
ULK2 Q8IYT8 1/20 0.49
BRD4 O60885 1/20 0.48
KIT P10721 3/20 0.47
AURKA O14965 1/20 0.47
RPS6KA5 O75582 1/20 0.47
RPS6KA4 O75676 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
RPS6KA3 P51812 1/20 0.47
RPS6KA2 Q15349 1/20 0.47
RPS6KA1 Q15418 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
RPS6KB2 Q9UBS0 1/20 0.47
RPS6KA6 Q9UK32 1/20 0.47

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
SCHEMBL1917046 0.94 CHEK1 (0.61) CHEK1FLT3STK17ASTK17BULK1
SCHEMBL1916143 0.92 STK17A (0.56) CHEK1FLT3STK17ASTK17BKIT
SCHEMBL3284584 0.91 STK17A (0.55) CHEK1FLT3STK17ASTK17BKIT
SCHEMBL1916744 0.90 BRD4 (0.55) CHEK1FLT3STK17ASTK17BBRD4
SCHEMBL1916754 0.89 STK17A (0.63) CHEK1FLT3STK17ASTK17BKIT
SCHEMBL3700191 0.87 STK17A (0.53) CHEK1STK17ASTK17B
SCHEMBL1916130 0.86 STK17A (0.53) CHEK1FLT3STK17ASTK17BULK1
SCHEMBL3284402 0.85 STK17A (0.52) CHEK1FLT3STK17ASTK17BULK1
SCHEMBL1916667 0.83 CHEK1 (0.47) CHEK1FLT3STK17AULK1BRD4
SCHEMBL3283870 0.82 CHEK1 (0.53) CHEK1FLT3STK17ASTK17BULK1

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 CHEK1 409/4885FLT3 278/4885STK17A 1083/4885
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 CHEK1 3237/4885FLT3 343/4885STK17A 2304/4885
US-20100152167-A1 PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD CHEK1 409/4885FLT3 278/4885STK17A 1083/4885

“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.