SCHEMBL13530378

SCHEMBL13530378

CC[Si](CC)(CC)Nc1nc(OC(C)c2ccc(F)cc2)ncc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34
MAPK1 P28482 3/20 0.33
SYK P43405 3/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 1/20 0.33
AURKA O14965 1/20 0.33
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
RXRA P19793 3/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2B Q13224 3/20 0.32
NTRK1 P04629 1/20 0.31
PPARA Q07869 1/20 0.31
ACACB O00763 1/20 0.31
POLB P06746 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ROCK2 O75116 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
SCHEMBL13529419 0.84 PPARA (0.34) KRASSOS1SYKJAK2JAK3
SCHEMBL17011483 0.82 JAK2 (0.34) KRASSOS1SYKJAK2JAK3
SCHEMBL3176231 0.81 ACACB (0.39) MAPK1AURKAKDM5AKDM4CKDM5B
SCHEMBL13529944 0.81 KRAS (0.37) KRASSOS1SYKJAK2JAK3
SCHEMBL13530451 0.81 MAPK1 (0.39) MAPK1JAK2JAK3NTRK1POLB
SCHEMBL13530416 0.81 RORC (0.42) MAPK1JAK2JAK3KDM5AKDM4C
SCHEMBL13530249 0.79 KDM4E (0.36) KRASSOS1MAPK1SYKJAK2
SCHEMBL13765161 0.79 ALDH1A1 (0.36) KRASSOS1MAPK1JAK2JAK3
SCHEMBL14730181 0.76 EGFR (0.36) SYKJAK2JAK3AURKAKDM5A
SCHEMBL13529529 0.76 NPC1 (0.42) AURKAPPARAPOLB

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 7 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-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

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 3764/4885MAPK1 3943/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KRAS 1231/4885SOS1 3764/4885MAPK1 3943/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KRAS 1231/4885SOS1 3764/4885MAPK1 3943/4885

“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.