SCHEMBL16044403

SCHEMBL16044403

COC(=O)c1nc(-c2c(F)cc(Cl)c(F)c2C)cc(NC(C)=O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
PYGL P06737 2/20 0.33
NQO2 P16083 1/20 0.33
ABL1 P00519 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALPL P05186 1/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PGK1 P00558 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL17797192 0.91 ALDH1A1 (0.38) ALDH1A1PYGLNQO2ABL1NPC1
SCHEMBL16095650 0.88 ALDH1A1 (0.38) ALDH1A1PYGLNQO2ABL1NPC1
SCHEMBL3333108 0.86 ALDH1A1 (0.38) ALDH1A1PYGLNQO2ABL1NPC1
SCHEMBL16127200 0.86 ALDH1A1 (0.36) ALDH1A1NQO2ABL1NPC1RAB9A
SCHEMBL16036011 0.83 ALDH1A1 (0.36) ALDH1A1NQO2ABL1SMN1; SMN2KDM4E
SCHEMBL29557036 0.83 ALDH1A1 (0.36) ALDH1A1NQO2ABL1SMN1; SMN2KDM4E
SCHEMBL16047076 0.83 NQO2 (0.38) ALDH1A1NQO2ABL1NPC1RAB9A
SCHEMBL16035807 0.83 ALDH1A1 (0.36) ALDH1A1NQO2ABL1NPC1RAB9A
SCHEMBL16036003 0.83 ALDH1A1 (0.36) ALDH1A1NQO2NPC1KDM4ECYP1A2
SCHEMBL29556229 0.83 ALDH1A1 (0.36) ALDH1A1NQO2ABL1NPC1RAB9A

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
CN-113292502-A Novel 4-aminopyridine and 6-aminopyrimidine carboxylates as herbicides 美国陶氏益农公司 2021-08-24 CN disclosed
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
EP-2967057-B1 NOVEL 4-AMINOPYRIDINE AND 6-AMINOPYRIMIDINE CARBOXYLATES AS HERBICIDES DOW AGROSCIENCES LLC (US) 2018-11-21 EP disclosed
EP-2967057-A1 NOVEL 4-AMINOPYRIDINE AND 6-AMINOPYRIMIDINE CARBOXYLATES AS HERBICIDES Dow AgroSciences LLC (US) 2016-01-20 EP 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

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 ALDH1A1 951/4885PYGL 677/4885NQO2 434/4885
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 ALDH1A1 1043/4885PYGL 618/4885NQO2 670/4885

“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.