SCHEMBL13530220

SCHEMBL13530220

Cc1ccc(COc2ncc(F)c(NN)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MPO P05164 1/20 0.38
AGXT P21549 2/20 0.38
GAA P10253 1/20 0.37
RXRA P19793 7/20 0.36
GRIN1 Q05586 7/20 0.36
GRIN2B Q13224 7/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
PIN1 Q13526 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT1 Q99873 1/20 0.34

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
SCHEMBL13530110 0.89 ALDH1A1 (0.41) AURKAALDH1A1MAPK1MPOAGXT
SCHEMBL13529738 0.87 RXRA (0.46) AURKAALDH1A1MAPTMAPK1MPO
SCHEMBL13529848 0.86 AURKA (0.42) AURKAALDH1A1MAPTMAPK1MPO
SCHEMBL13529665 0.86 PIN1 (0.43) AURKAALDH1A1MAPK1USP2CYP1A2
SCHEMBL13530041 0.85 AURKA (0.39) AURKAALDH1A1MAPTMPOGAA
SCHEMBL13530419 0.85 KDM4E (0.42) AURKAALDH1A1MAPTMAPK1MPO
SCHEMBL13530444 0.85 AURKA (0.39) AURKAALDH1A1MPORXRAGRIN1
SCHEMBL13529259 0.84 AURKA (0.40) AURKAALDH1A1MAPTMAPK1MPO
SCHEMBL13530888 0.83 AURKA (0.37) AURKAALDH1A1MAPTMPORXRA
SCHEMBL17011496 0.83 AURKA (0.37) AURKAALDH1A1MAPTMAPK1MPO

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 12 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-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
EP-2252594-B1 4-AMINO-5-FLUORO-PYRIMIDINE DERIVATIVES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-08-19 EP 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
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
WO-2009094442-A2 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-07-30 WO 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 (3 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 1050/4885ALDH1A1 1302/4885MAPT 3308/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 AURKA 1050/4885ALDH1A1 1302/4885MAPT 3308/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 AURKA 1050/4885ALDH1A1 1302/4885MAPT 3308/4885

“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.