SCHEMBL16624986

SCHEMBL16624986

Cc1cc(F)c(F)c(Oc2ccnc(Cl)n2)c1F

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL16617423 0.89 FEN1 (0.42) ALOX5APFEN1HTTGAAALDH1A1
SCHEMBL18622659 0.81 FEN1 (0.41) ALOX5APFEN1HTTGAAALDH1A1
SCHEMBL16618084 0.81 FEN1 (0.44) ALOX5APFEN1HTTGAA
SCHEMBL16624992 0.80 ALOX5AP (0.38) ALOX5APFEN1HTTGAAALDH1A1
SCHEMBL16624984 0.79 FEN1 (0.40) ALOX5APFEN1HTTGAA
SCHEMBL16617075 0.76 ALOX5AP (0.39) ALOX5APFEN1HTTGAAALDH1A1
SCHEMBL16624994 0.73 KDM4E (0.34) ALOX5APFEN1
SCHEMBL5123913 0.71 HTT (0.38) ALOX5APFEN1HTTGAAALDH1A1
SCHEMBL29665819 0.71 SRC (0.40) ALOX5APFEN1HTTGAAALDH1A1
SCHEMBL2259532 0.71 GRM5 (0.43) HTTGAA

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 6 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-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-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-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 305/4885HTT 2870/4885
US-20160159749-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD ALOX5AP 2322/4885FEN1 305/4885HTT 2870/4885
US-10005737-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines TYMS, UMPS, DPYD ALOX5AP 2322/4885FEN1 305/4885HTT 2870/4885
US-20150099875-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD ALOX5AP 2322/4885FEN1 305/4885HTT 2870/4885

“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.