SCHEMBL13529913

SCHEMBL13529913

Nc1nc(OCC2CCCC2)ncc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCK P27707 2/20 0.47
CDK2 P24941 10/20 0.40
CCNA2 P20248 7/20 0.40
CCNA1 P78396 7/20 0.40
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
MCHR1 Q99705 3/20 0.40
CCNB2 O95067 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
MEN1 O00255 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
ATR Q13535 1/20 0.40
MAPK3 P27361 1/20 0.38
CLK1 P49759 1/20 0.38
CDK5 Q00535 1/20 0.38
PIN1 Q13526 1/20 0.38
MAP3K5 Q99683 1/20 0.38
PARP10 Q53GL7 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL13530549 0.98 DCK (0.46) DCKCDK2CCNA2CCNA1CDK1
SCHEMBL13530424 0.94 DCK (0.48) DCKALOX5APFEN1
SCHEMBL13529449 0.84 DCK (0.43) DCKCDK2CCNA2CCNA1CDK1
SCHEMBL22493899 0.81 CDK2 (0.43) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL13530162 0.77 ACACB (0.38) DCK
SCHEMBL13530449 0.77 MCHR1 (0.41) DCKMCHR1
SCHEMBL13530550 0.76 DCK (0.48) DCK
SCHEMBL17011586 0.75 DCK (0.38) DCK
SCHEMBL3179408 0.74 L3MBTL1 (0.36) DCKMEN1KMT2A
SCHEMBL13530555 0.73 RXRA (0.38) DCK

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
EP-2252594-B1 4-AMINO-5-FLUORO-PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
WO-2009094442-A2 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-07-30 WO 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 (3 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 DCK 64/4885CDK2 458/4885CCNA2 1582/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 DCK 64/4885CDK2 458/4885CCNA2 1582/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 DCK 64/4885CDK2 458/4885CCNA2 1582/4885

“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.