SCHEMBL13530697

SCHEMBL13530697

O=C(Nc1nc(O)ncc1F)c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
HDAC1 Q13547 1/20 0.44
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AURKA O14965 5/20 0.40
ADORA3 P0DMS8 1/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
TNIK Q9UKE5 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
LCK P06239 2/20 0.37
SGK1 O00141 1/20 0.37
CCNA2 P20248 1/20 0.37

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
SCHEMBL13383578 0.80 AURKA (0.55) NPC1RAB9AAURKAADORA3CDK2
SCHEMBL13383267 0.78 AURKA (0.57) NPC1RAB9AAURKACDK2
SCHEMBL1225901 0.78 AURKA (0.57) NPC1RAB9AAURKA
SCHEMBL13530674 0.76 KCNQ3 (0.51) NPC1RAB9A
SCHEMBL13383723 0.75 AURKA (0.59) NPC1RAB9AAURKAADORA3
SCHEMBL13383683 0.74 GRM5 (0.49) CASP3SENP8SENP7SENP6NPC1
SCHEMBL1225015 0.71 AURKA (0.37) AURKAADORA3
SCHEMBL13383755 0.71 TSHR (0.57) NPC1RAB9AAURKAADORA3
SCHEMBL13383686 0.70 AURKA (0.58) HPGDNPC1RAB9AAURKA
SCHEMBL13383587 0.69 AURKA (0.37) AURKA

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 HPGD 3992/4885HDAC1 3053/4885CASP3 20/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 HPGD 3992/4885HDAC1 3053/4885CASP3 20/4885

“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.