SCHEMBL13729358

SCHEMBL13729358

CC[Si](CC)(CC)Nc1nc(Oc2ccc(OC)cc2)ncc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.45
AURKA O14965 3/20 0.45
ALDH1A1 P00352 10/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
CYP1A2 P05177 10/20 0.40
CYP3A4 P08684 10/20 0.40
USP2 O75604 6/20 0.40
MAPK1 P28482 4/20 0.40
CYP2C9 P11712 4/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
HIF1A Q16665 2/20 0.40
CYP2C19 P33261 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
HSD17B10 Q99714 4/20 0.38
CYP2D6 P10635 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
SCHEMBL13529468 0.83 AURKA (0.46) SYKAURKAALDH1A1MEN1KMT2A
SCHEMBL13530346 0.79 SMN1; SMN2 (0.47) SYKAURKAALDH1A1MEN1KMT2A
SCHEMBL17012477 0.78 AURKA (0.44) SYKAURKAALDH1A1MEN1KMT2A
SCHEMBL13530291 0.77 MAOB (0.44) SYKAURKAALDH1A1CYP1A2CYP3A4
SCHEMBL13529706 0.76 PRKCB (0.40) SYKAURKA
SCHEMBL13530495 0.74 AURKA (0.41) AURKAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13530358 0.74 CYP1A2 (0.41) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3176231 0.74 ACACB (0.39) AURKAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13530368 0.73 ALDH1A1 (0.50) SYKAURKAALDH1A1MEN1KMT2A
SCHEMBL13530405 0.73 LMNA (0.43) ALDH1A1MAPK10MAPK1SMN1; SMN2HPGD

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 5 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-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-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 (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-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 SYK 2211/4885AURKA 1050/4885ALDH1A1 1302/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 SYK 2211/4885AURKA 1050/4885ALDH1A1 1302/4885

“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.