SCHEMBL18629754

SCHEMBL18629754

Nc1nccc(Oc2c(F)c(F)c(F)c(F)c2F)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 11/20 0.50
ALOX5AP P20292 10/20 0.50
NUDT1 P36639 2/20 0.46
MET P08581 4/20 0.38
GRM4 Q14833 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL11212136 0.82 NUDT1 (0.57) FEN1ALOX5APNUDT1GRM4KDM4E
SCHEMBL16618084 0.79 FEN1 (0.44) FEN1ALOX5APMAPT
SCHEMBL31721266 0.73 NUDT1 (0.49) FEN1ALOX5APNUDT1GRM4KDM4E
SCHEMBL12813082 0.72 POLB (0.54) FEN1ALOX5APNUDT1GRM4KDR
SCHEMBL1892428 0.72 MEN1 (0.50) FEN1ALOX5APNUDT1KDM4EMAPT
SCHEMBL16624984 0.71 FEN1 (0.40) FEN1ALOX5AP
SCHEMBL2025837 0.71 KDR (0.45) FEN1ALOX5APNUDT1METKDR
SCHEMBL18622659 0.70 FEN1 (0.41) FEN1ALOX5AP
SCHEMBL3121960 0.70
SCHEMBL359919 0.70

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 FEN1 305/4885ALOX5AP 2322/4885NUDT1 5/4885
US-10005737-B2 Methods of regioselective synthesis of 2,4-disubstituted pyrimidines TYMS, UMPS, DPYD FEN1 305/4885ALOX5AP 2322/4885NUDT1 5/4885

“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.