SCHEMBL13530438

SCHEMBL13530438

CCOP(=O)(Nc1nc(OCc2ccc(C)cc2)ncc1F)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
AURKA O14965 2/20 0.34
MAOB P27338 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 2/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
BTK Q06187 1/20 0.34
POLB P06746 1/20 0.33
RXRA P19793 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL3189376 0.92 ALDH1A1 (0.39) KDM4EMAOBNPSR1ALDH1A1MAPK1
SCHEMBL13529480 0.89 NPSR1 (0.43) KDM4ENPSR1ALDH1A1MAPK1CYP1A2
SCHEMBL13765102 0.84 ALDH1A1 (0.39) KDM4EMAOBALDH1A1MAPK1CYP1A2
SCHEMBL13530482 0.84 HTT (0.41) KDM4EMAOBALDH1A1MAPK1LMNA
SCHEMBL13530322 0.83 MAOB (0.40) MAOBALDH1A1FFAR1
SCHEMBL13765098 0.82 CYP1A2 (0.41) NPSR1ALDH1A1MAPK1CYP1A2USP2
SCHEMBL13530444 0.80 AURKA (0.39) AURKAMAOBALDH1A1CYP1A2USP2
SCHEMBL13529738 0.80 RXRA (0.46) AURKAALDH1A1MAPTMAPK1CYP1A2
SCHEMBL13530379 0.80 AURKA (0.36) AURKAMAOBALDH1A1CYP1A2USP2
SCHEMBL13530135 0.79 SMN1; SMN2 (0.42) KDM4EAURKAMAOBALDH1A1MAPK1

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 11 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

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 KDM4E 1768/4885AURKA 1050/4885MAOB 1396/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KDM4E 1768/4885AURKA 1050/4885MAOB 1396/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 KDM4E 1768/4885AURKA 1050/4885MAOB 1396/4885

“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.