SCHEMBL16617012

SCHEMBL16617012

Fc1cc(F)c(F)c(Oc2ccnc(Nc3ccccc3)n2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.49
KDR P35968 6/20 0.48
MET P08581 2/20 0.48
PDPK1 O15530 2/20 0.48
CDK1 P06493 2/20 0.48
LYN P07948 2/20 0.48
FGFR1 P11362 2/20 0.48
FGFR3 P22607 2/20 0.48
RPS6KB1 P23443 2/20 0.48
CDK2 P24941 2/20 0.48
MARK3 P27448 2/20 0.48
BLK P51451 2/20 0.48
RPS6KA3 P51812 2/20 0.48
ERBB4 Q15303 2/20 0.48
MARK2 Q7KZI7 2/20 0.48
PLK3 Q9H4B4 2/20 0.48
PRKCD Q05655 2/20 0.48
IKBKB O14920 2/20 0.48
CHEK1 O14757 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL4891075 0.77 MET (0.57) AURKAKDRMETPDPK1CDK1
SCHEMBL2280151 0.73 AURKA (0.59) AURKAKDRPDPK1CDK1LYN
SCHEMBL16617423 0.73 FEN1 (0.42) MET
SCHEMBL4730654 0.72 MET (0.70) KDRMETJAK2JAK3
SCHEMBL18434165 0.70 MEN1 (0.57) AURKAPDPK1CDK1LYNFGFR1
SCHEMBL16624994 0.70 KDM4E (0.34) PDPK1MAPT
SCHEMBL14190848 0.69 KCNH2 (0.52) KDRMETCDK1NPC1MAPT
SCHEMBL4281016 0.69 KDR (0.54) KDRFGFR1PLK4SYKIGF1R
SCHEMBL30949018 0.68 MET (0.52) KDRMETNPC1MAPTMAPK1
SCHEMBL14836435 0.68 IKBKB (0.48) AURKAKDRMETPDPK1CDK1

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 AURKA 729/4885KDR 1013/4885MET 3629/4885
US-20160159749-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD AURKA 729/4885KDR 1013/4885MET 3629/4885
US-10005737-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines TYMS, UMPS, DPYD AURKA 729/4885KDR 1013/4885MET 3629/4885
US-20150099875-A1 METHODS OF REGIOSELECTIVE SYNTHESIS OF 2,4-DISUBSTITUTED PYRIMIDINES TYMS, UMPS, DPYD AURKA 729/4885KDR 1013/4885MET 3629/4885

“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.