SCHEMBL13530674

SCHEMBL13530674

O=C(Nc1nc(O)ncc1F)c1ccc(Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 10/20 0.51
KCNQ2 O43526 10/20 0.51
KCNE1 P15382 10/20 0.51
KCNQ1 P51787 10/20 0.51
BACE1 P56817 1/20 0.51
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.48
MDM4 O15151 1/20 0.48
TP53 P04637 1/20 0.48
MDM2 Q00987 1/20 0.48
KDR P35968 1/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL13383267 0.86 AURKA (0.57) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL1225901 0.81 AURKA (0.57) RAB9ASMN1; SMN2KMT2ANPC1TP53
SCHEMBL13383578 0.80 AURKA (0.55) RAB9AKMT2ANPC1KDRMEN1
SCHEMBL13383723 0.77 AURKA (0.59) RAB9ASMN1; SMN2KMT2ANPC1TP53
SCHEMBL13383686 0.76 AURKA (0.58) RAB9ASMN1; SMN2NPC1KDRPOLB
SCHEMBL13530697 0.76 HPGD (0.46) RAB9ANPC1
SCHEMBL13383683 0.74 GRM5 (0.49) RAB9ASMN1; SMN2KMT2ANPC1KDR
SCHEMBL4073255 0.73 MDM4 (0.70) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL2801974 0.73 KCNQ3 (0.85) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL13383587 0.72 AURKA (0.37) ALDH1A1

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 KCNQ3 3090/4885KCNQ2 2870/4885KCNE1 3249/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KCNQ3 3090/4885KCNQ2 2870/4885KCNE1 3249/4885

“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.