SCHEMBL13530676

SCHEMBL13530676

Cc1ccc(NC(=O)Nc2nc(O)ncc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.51
NPC1 O15118 11/20 0.51
SMN1; SMN2 Q16637 8/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
AURKA O14965 2/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
IMPDH2 P12268 1/20 0.46
TP53 P04637 2/20 0.46
GBA1 P04062 1/20 0.46
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL1270948 0.86 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2AURKAMEN1
SCHEMBL1225901 0.82 AURKA (0.57) RAB9ANPC1SMN1; SMN2KDM4EAURKA
SCHEMBL13383562 0.78 AURKA (0.41) RAB9ANPC1SMN1; SMN2KDM4ECYP1A2
SCHEMBL12894746 0.76 NPC1 (0.50) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E
SCHEMBL1225015 0.76 AURKA (0.37) L3MBTL1KDM4EAURKA
SCHEMBL13530680 0.75 AURKA (0.43) AURKAMEN1KMT2AMAPT
SCHEMBL13530692 0.75 FGFR1 (0.45) RAB9ANPC1SMN1; SMN2KDM4EHTT
SCHEMBL13530696 0.73 AURKA (0.45) RAB9ANPC1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL13383587 0.73 AURKA (0.37) L3MBTL1AURKAALDH1A1
SCHEMBL3182693 0.73 MEN1 (0.56) RAB9ANPC1SMN1; SMN2L3MBTL1KDM4E

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 RAB9A 1663/4885NPC1 2157/4885SMN1; SMN2 2803/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 RAB9A 1663/4885NPC1 2157/4885SMN1; SMN2 2803/4885

“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.