SCHEMBL16617075

SCHEMBL16617075

Fc1cc(F)c(Oc2ccnc(Cl)n2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
TRPA1 O75762 6/20 0.34
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
PLAAT3 P53816 1/20 0.32
PLAAT5 Q96KN8 1/20 0.32
PLAAT2 Q9NWW9 1/20 0.32
PLAAT4 Q9UL19 1/20 0.32
FFAR1 O14842 1/20 0.32
MAP4K4 O95819 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31
MET P08581 2/20 0.31
ALDH1A1 P00352 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
CDC7 O00311 1/20 0.30
CHEK1 O14757 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
SCHEMBL16624992 0.87 ALOX5AP (0.38) ALOX5APFEN1GAAHTTFFAR1
SCHEMBL16617423 0.83 FEN1 (0.42) ALOX5APFEN1GAAHTTPLAAT3
SCHEMBL16618084 0.80 FEN1 (0.44) ALOX5APFEN1GAAHTTPLAAT3
SCHEMBL5123913 0.77 HTT (0.38) ALOX5APFEN1GAAHTTPLAAT3
SCHEMBL16624986 0.76 ALOX5AP (0.38) ALOX5APFEN1GAAHTTALDH1A1
SCHEMBL15578281 0.75 L3MBTL1 (0.49) TRPA1GAAHTTPLAAT3PLAAT5
SCHEMBL18622659 0.75 FEN1 (0.41) ALOX5APFEN1GAAHTTALDH1A1
SCHEMBL19510741 0.75 MAP4K4 (0.49) ALOX5APFEN1TRPA1GAAHTT
SCHEMBL17609059 0.73 MAP4K4 (0.50) GAAHTTFFAR1MAP4K4MAPT
SCHEMBL16624984 0.72 FEN1 (0.40) ALOX5APFEN1GAAHTT

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 ALOX5AP 2322/4885FEN1 305/4885TRPA1 4205/4885
US-20160159749-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD ALOX5AP 2322/4885FEN1 305/4885TRPA1 4205/4885
US-10005737-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines TYMS, UMPS, DPYD ALOX5AP 2322/4885FEN1 305/4885TRPA1 4205/4885
US-20150099875-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD ALOX5AP 2322/4885FEN1 305/4885TRPA1 4205/4885

“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.