SCHEMBL16076571

SCHEMBL16076571

COC(=O)c1nc(-c2ccc(Cl)c(F)c2C)nc(N)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
PKM P14618 2/20 0.38
RCE1 Q9Y256 1/20 0.38
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALPL P05186 1/20 0.34
LRRK2 Q5S007 1/20 0.34
KLKB1 P03952 2/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDGFRB P09619 2/20 0.32
KDR P35968 2/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
S1PR4 O95977 1/20 0.32
DHPS P49366 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NQO2 P16083 1/20 0.32
F2 P00734 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
SCHEMBL1223300 0.91 KDM4E (0.38) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL1478316 0.90 KDM4E (0.39) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL16076578 0.88 KDM4E (0.37) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL29769728 0.86 KDM4E (0.38) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL679753 0.86 KDM4E (0.38) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL1477905 0.84 KDM4E (0.36) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL14627628 0.84 KDM4E (0.36) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL1222876 0.83 KDM4E (0.36) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL1224456 0.83 KDM4E (0.36) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL116281 0.83 KDM4E (0.36) KDM4EPKMRCE1ALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10765114-B2 4-amino-6-(pyridyl and 2-substitutedphenyl)-picolinates and 6-amino-2-(pyridyl and 2-substitutedphenyl)-pyrimidine-4-carboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2020-09-08 US disclosed
WO-2014150809-A1 NOVEL 4-AMINOPYRIDINE AND 6-AMINOPYRIMIDINE CARBOXYLATES AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-25 WO disclosed
US-20140274703-A1 NOVEL 4-AMINO-6-(PYRIDYL AND 2-SUBSTITUTEDPHENYL)-PICOLINATES AND 6-AMINO-2-(PYRIDYL AND 2-SUBSTITUTEDPHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140274703-A1 NOVEL 4-AMINO-6-(PYRIDYL AND 2-SUBSTITUTEDPHENYL)-PICOLINATES AND 6-AMINO-2-(PYRIDYL AND 2-SUBSTITUTEDPHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-18 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-10765114-B2 4-amino-6-(pyridyl and 2-substitutedphenyl)-picolinates and 6-amino-2-(pyridyl and 2-substitutedphenyl)-pyrimidine-4-carboxylates and their use as herbicides DDT, P2RX6, PLPBP KDM4E 1211/4885PKM 1132/4885RCE1 2642/4885
US-20140274703-A1 NOVEL 4-AMINO-6-(PYRIDYL AND 2-SUBSTITUTEDPHENYL)-PICOLINATES AND 6-AMINO-2-(PYRIDYL AND 2-SUBSTITUTEDPHENYL)-PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DDT, PLPBP, P2RX6 KDM4E 1268/4885PKM 1032/4885RCE1 2790/4885

“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.