SCHEMBL13530691

SCHEMBL13530691

Cc1coc(C)c1C(=O)Nc1nc(O)ncc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
AURKA O14965 6/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
XDH P47989 1/20 0.31
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TSHR P16473 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL1225901 0.73 AURKA (0.57) NPC1RAB9AAURKAMEN1KMT2A
SCHEMBL1225015 0.73 AURKA (0.37) AURKAGAA
SCHEMBL13383587 0.70 AURKA (0.37) AURKAALDH1A1
SCHEMBL13383578 0.70 AURKA (0.55) NPC1RAB9AAURKAMEN1KMT2A
SCHEMBL13383572 0.69 SMN1; SMN2 (0.43) RAB9AAURKAMEN1KMT2AALDH1A1
SCHEMBL13476071 0.69 SYK (0.47) RAB9AAURKAGAAALDH1A1CYP2C9
SCHEMBL13383266 0.69 ADORA3 (0.40) NPC1RAB9AAURKAMEN1KMT2A
SCHEMBL13383267 0.68 AURKA (0.57) NPC1RAB9AAURKAKMT2ATP53
SCHEMBL13383723 0.68 AURKA (0.59) NPC1RAB9AAURKAMEN1GAA
SCHEMBL13530692 0.67 FGFR1 (0.45) NPC1RAB9AGAACASP1ALDH1A1

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 NPC1 2157/4885RAB9A 1663/4885AURKA 1050/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 NPC1 2157/4885RAB9A 1663/4885AURKA 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.