SCHEMBL16618013

SCHEMBL16618013

Fc1cc(F)c(F)c(Oc2ccnc(N3CCOCC3)n2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
MAPK14 Q16539 4/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CB P42338 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ACHE P22303 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MTOR P42345 3/20 0.39
PLK4 O00444 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL27739303 0.76 PLK4 (0.62) KDM4EPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL16617423 0.71 FEN1 (0.42) ALDH1A1HTT
SCHEMBL13533581 0.70 MTOR (0.42) MAPK14PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3111817 0.69 SIGMAR1 (0.46) KDM4EPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL16624994 0.68 KDM4E (0.34) KDM4EMAPK14
SCHEMBL5457199 0.68 PIK3CA (0.55) KDM4EPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL5525967 0.68 PIK3CA (0.58) KDM4EPIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3184059 0.68 PIK3CA (0.41) MAPK14PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL3261056 0.67 PIK3CA (0.43) MAPK14PIK3CAPIK3CDPIK3R1PIK3CB
SCHEMBL13555486 0.67 CCNT1 (0.56) KDM4EPIK3CAPIK3CDPIK3R1PIK3CB

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 KDM4E 1557/4885MAPK14 3209/4885PIK3CA 479/4885
US-20160159749-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD KDM4E 1557/4885MAPK14 3209/4885PIK3CA 479/4885
US-10005737-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines TYMS, UMPS, DPYD KDM4E 1557/4885MAPK14 3209/4885PIK3CA 479/4885
US-20150099875-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD KDM4E 1557/4885MAPK14 3209/4885PIK3CA 479/4885

“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.