SCHEMBL16624994

SCHEMBL16624994

CN(C)c1nccc(Oc2c(F)c(F)cc(F)c2F)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FEN1 P39748 4/20 0.34
ALOX5AP P20292 3/20 0.34
DYRK1A Q13627 6/20 0.33
TRPA1 O75762 1/20 0.32
MAPK14 Q16539 1/20 0.32
PDPK1 O15530 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL16617423 0.79 FEN1 (0.42) FEN1ALOX5AP
SCHEMBL16624986 0.73 ALOX5AP (0.38) FEN1ALOX5AP
SCHEMBL4490434 0.70 MTNR1A (0.50) KDM4EMAPTL3MBTL1DYRK1AMTNR1A
SCHEMBL31010905 0.70 MTNR1A (0.50) KDM4EMAPTL3MBTL1DYRK1AMTNR1A
SCHEMBL16617012 0.70 AURKA (0.49) MAPTPDPK1
SCHEMBL16618013 0.68 KDM4E (0.45) KDM4EMAPK14
SCHEMBL16618084 0.66 FEN1 (0.44) MAPTL3MBTL1FEN1ALOX5AP
SCHEMBL28343189 0.66 DYRK1A (0.40) DYRK1APDPK1
SCHEMBL18629754 0.65 FEN1 (0.50) KDM4EMAPTFEN1ALOX5AP
SCHEMBL18622659 0.65 FEN1 (0.41) FEN1ALOX5AP

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 KDM4E 1557/4885MAPT 4119/4885L3MBTL1 3474/4885
US-20160159749-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD KDM4E 1557/4885MAPT 4119/4885L3MBTL1 3474/4885
US-10005737-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines TYMS, UMPS, DPYD KDM4E 1557/4885MAPT 4119/4885L3MBTL1 3474/4885
US-20150099875-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD KDM4E 1557/4885MAPT 4119/4885L3MBTL1 3474/4885

“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.