SCHEMBL16617423

SCHEMBL16617423

Fc1cc(F)c(F)c(Oc2ccnc(Cl)n2)c1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 6/20 0.42
ALOX5AP P20292 5/20 0.42
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31
MET P08581 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PLAAT3 P53816 1/20 0.30
PLAAT5 Q96KN8 1/20 0.30
PLAAT2 Q9NWW9 1/20 0.30
PLAAT4 Q9UL19 1/20 0.30

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
SCHEMBL16624986 0.89 ALOX5AP (0.38) FEN1ALOX5APGAAHTTALDH1A1
SCHEMBL16618084 0.87 FEN1 (0.44) FEN1ALOX5APGAAHTTPOLB
SCHEMBL16617075 0.83 ALOX5AP (0.39) FEN1ALOX5APGAAHTTPOLB
SCHEMBL18622659 0.81 FEN1 (0.41) FEN1ALOX5APGAAHTTALDH1A1
SCHEMBL16624992 0.80 ALOX5AP (0.38) FEN1ALOX5APGAAHTTMET
SCHEMBL16624984 0.79 FEN1 (0.40) FEN1ALOX5APGAAHTT
SCHEMBL16624994 0.79 KDM4E (0.34) FEN1ALOX5AP
SCHEMBL5123913 0.77 HTT (0.38) FEN1ALOX5APGAAHTTALDH1A1
SCHEMBL19510741 0.75 MAP4K4 (0.49) FEN1ALOX5APGAAHTTPOLB
SCHEMBL5397064 0.74 MET (0.39) FEN1ALOX5APMET

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005737-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-26 US disclosed
US-10005737-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-26 US disclosed
US-10005737-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-26 US disclosed
US-20170073315-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2017-03-16 US disclosed
US-20170073315-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2017-03-16 US disclosed
US-20170073315-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2017-03-16 US disclosed
US-9533959-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-01-03 US disclosed
US-9533959-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-01-03 US disclosed
US-20160159749-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2016-06-09 US disclosed
US-20160159749-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2016-06-09 US disclosed
US-20160159749-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2016-06-09 US disclosed
US-9296727-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-03-29 US disclosed
US-9296727-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-03-29 US disclosed
US-9296727-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-03-29 US disclosed
US-20150099875-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2015-04-09 US disclosed
US-20150099875-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2015-04-09 US disclosed
US-20150099875-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2015-04-09 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 (4 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-20170073315-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD FEN1 305/4885ALOX5AP 2322/4885GAA 2898/4885
US-20160159749-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD FEN1 305/4885ALOX5AP 2322/4885GAA 2898/4885
US-10005737-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines TYMS, UMPS, DPYD FEN1 305/4885ALOX5AP 2322/4885GAA 2898/4885
US-20150099875-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD FEN1 305/4885ALOX5AP 2322/4885GAA 2898/4885

“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.