SCHEMBL13530291

SCHEMBL13530291

CC[Si](CC)(CC)Nc1nc(OCc2cccc(OC)c2)ncc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.44
SYK P43405 1/20 0.44
AURKA O14965 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.40
PIK3CA P42336 1/20 0.40
EGFR P00533 1/20 0.40
BTK Q06187 1/20 0.40

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
SCHEMBL13529560 0.87 CYP1A2 (0.47) MAOBSYKAURKACYP1A2CYP3A4
SCHEMBL13529883 0.87 ACACB (0.42) MAOBPIK3CA
SCHEMBL13530187 0.86 MAOB (0.46) MAOBSYKAURKACYP1A2CYP3A4
SCHEMBL13529415 0.86 CYP1A2 (0.48) MAOBSYKAURKACYP1A2CYP3A4
SCHEMBL13530443 0.85 MAOB (0.45) MAOBSYKAURKACYP1A2CYP3A4
SCHEMBL3185932 0.85 MAOB (0.47) MAOBSYKAURKACYP1A2CYP3A4
SCHEMBL13530358 0.85 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL13530478 0.83 MAOB (0.43) MAOBSYKAURKACYP1A2CYP3A4
SCHEMBL13530237 0.83 PIK3CA (0.52) MAOBSYKAURKACYP1A2CYP3A4
SCHEMBL13530405 0.83 LMNA (0.43) RAB9AALDH1A1HTTSMN1; SMN2

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 8 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
EP-2562162-B1 N-CYANO-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-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 MAOB 1396/4885SYK 2211/4885AURKA 1050/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MAOB 1396/4885SYK 2211/4885AURKA 1050/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 MAOB 1396/4885SYK 2211/4885AURKA 1050/4885

“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.