SCHEMBL13530605

SCHEMBL13530605

Fc1cnc(OCc2ccco2)nc1NCc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
KDM4E B2RXH2 2/20 0.40
DYRK1A Q13627 1/20 0.40
CYP1A2 P05177 9/20 0.39
CYP3A4 P08684 9/20 0.39
CYP2D6 P10635 9/20 0.39
ALDH1A1 P00352 8/20 0.39
CYP2C19 P33261 8/20 0.39
TSHR P16473 7/20 0.39
CYP2C9 P11712 4/20 0.39
ALOX15 P16050 4/20 0.39
HSD17B10 Q99714 4/20 0.39
MAPT P10636 2/20 0.39
GBA1 P04062 1/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.39
TLR8 Q9NR97 1/20 0.39

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
SCHEMBL13530530 0.87 TSHR (0.43) MEN1KMT2ACLK4KDM4ECYP1A2
SCHEMBL13530569 0.82 KCNH3 (0.46) MEN1KMT2ACLK4KDM4ECYP1A2
SCHEMBL13530613 0.82 CYP1A2 (0.42) POLBMEN1KMT2ACLK4KDM4E
SCHEMBL13530515 0.82 SMN1; SMN2 (0.41) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL13530536 0.81 TSHR (0.47) POLBMEN1KMT2ACLK4KDM4E
SCHEMBL13530664 0.80 LMNA (0.41) MEN1KMT2ACLK4KDM4ECYP1A2
SCHEMBL13530511 0.80 NPC1 (0.44) POLBMEN1KMT2ACLK4KDM4E
SCHEMBL13530627 0.80 MAPT (0.43) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL13530595 0.80 TSHR (0.40) MEN1KMT2ACLK4CYP1A2CYP3A4
SCHEMBL13530672 0.80 KDM4E (0.43) POLBMEN1KMT2AKDM4EALDH1A1

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 POLB 846/4885MEN1 3460/4885KMT2A 3037/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 POLB 846/4885MEN1 3460/4885KMT2A 3037/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 POLB 846/4885MEN1 3460/4885KMT2A 3037/4885

“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.