SCHEMBL13529944

SCHEMBL13529944

CCOCNc1nc(OC(C)c2ccc(F)cc2)ncc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 3/20 0.37
SOS1 Q07889 3/20 0.37
JAK2 O60674 2/20 0.36
JAK3 P52333 1/20 0.36
SYK P43405 3/20 0.32
RXRA P19793 4/20 0.32
GRIN1 Q05586 4/20 0.32
GRIN2B Q13224 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AURKA O14965 1/20 0.32
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL13529478 0.86 ALDH1A1 (0.37) RXRAGRIN1GRIN2BMEN1KMT2A
SCHEMBL13529419 0.84 PPARA (0.34) KRASSOS1JAK2JAK3SYK
SCHEMBL17011483 0.82 JAK2 (0.34) KRASSOS1JAK2JAK3SYK
SCHEMBL13529784 0.82 ALDH1A1 (0.40) RXRAGRIN1GRIN2BMEN1KMT2A
SCHEMBL13530378 0.81 KRAS (0.34) KRASSOS1JAK2JAK3SYK
SCHEMBL13530451 0.81 MAPK1 (0.39) JAK2JAK3NTRK1
SCHEMBL13530249 0.80 KDM4E (0.36) KRASSOS1JAK2JAK3SYK
SCHEMBL13765161 0.77 ALDH1A1 (0.36) KRASSOS1JAK2JAK3MEN1
SCHEMBL13530416 0.76 RORC (0.42) JAK2JAK3
SCHEMBL13530379 0.75 AURKA (0.36) SYKRXRAGRIN1GRIN2BAURKA

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 9 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
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-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

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 KRAS 1231/4885SOS1 3764/4885JAK2 3835/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KRAS 1231/4885SOS1 3764/4885JAK2 3835/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KRAS 1231/4885SOS1 3764/4885JAK2 3835/4885

“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.