SCHEMBL22366823

SCHEMBL22366823

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2OC)ncc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MRGPRX4 Q96LA9 2/20 0.44
▸ SCN9A Q15858 11/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL24987866 0.91 MRGPRX4 (0.46) MAPTMRGPRX4GAA
SCHEMBL30185255 0.91 MRGPRX4 (0.46) MAPTMRGPRX4GAA
SCHEMBL30185239 0.90 LRRK2 (0.45) LRRK2CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL24986659 0.90 LRRK2 (0.45) LRRK2CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL24986742 0.89 MRGPRX4 (0.42) LRRK2MAPTMRGPRX4HDAC3HDAC1
SCHEMBL24987876 0.88 MRGPRX4 (0.46) LRRK2CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL30185149 0.88 MRGPRX4 (0.46) LRRK2CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL24985500 0.83 MAPT (0.47) LRRK2CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL24985107 0.82 CRHR1 (0.44) CYP1A2CYP3A4CYP2C19MAPTCYP2C9
SCHEMBL30185197 0.82 CRHR1 (0.44) CYP1A2CYP3A4CYP2C19MAPTCYP2C9

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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US disclosed
EP-3700340-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF Dow Agrosciences LLC (US) 2020-09-02 — — EP disclosed
CN-111278283-A Pyridine and pyrimidine formate herbicides and methods of use thereof 美国陶氏益农公司 2020-06-12 — — CN 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 (1 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT LRRK2 4604/4885CYP1A2 298/4885CYP3A4 239/4885

“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.

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