SCHEMBL13530696

SCHEMBL13530696

CCCNC(=O)Nc1nc(O)ncc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ATG4B Q9Y4P1 1/20 0.41
EPHX1 P07099 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
IDO1 P14902 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL13530682 0.91 EPHX2 (0.49) SMN1; SMN2EPHX1RAB9ANPC1ALDH1A1
SCHEMBL13530693 0.80 MMP3 (0.44) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL13383560 0.79 GSK3B (0.43) RAB9ANPC1MAPK1CYP1A2
SCHEMBL13383266 0.79 ADORA3 (0.40) AURKAMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13530677 0.77 POLB (0.48) ATG4BRAB9ANPC1MAPK1
SCHEMBL1225015 0.77 AURKA (0.37) AURKAL3MBTL1
SCHEMBL13530680 0.77 AURKA (0.43) AURKAMEN1KMT2AIDO1SIGMAR1
SCHEMBL13383276 0.76 XDH (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL13530679 0.76 ROCK2 (0.48) MEN1KMT2ARAB9AMAPK1
SCHEMBL13529693 0.76 PPIA (0.41) AURKAMEN1KMT2AEPHX1RAB9A

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 6 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-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

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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 AURKA 1050/4885MEN1 3460/4885KMT2A 3037/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 AURKA 1050/4885MEN1 3460/4885KMT2A 3037/4885

“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.