SCHEMBL17064210

SCHEMBL17064210

O=C(Nc1ncn(-c2ncc(F)cc2F)n1)c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 5/20 0.41
▸ KCNK3 O14649 3/20 0.41
▸ KCNK9 Q9NPC2 3/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ PTPRC P08575 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ F2R P25116 1/20 0.38
▸ GRM5 P41594 1/20 0.37

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
SCHEMBL15640068 0.83 PTGES (0.44) PTGESKCNK3KCNK9PTGS1LMNA
SCHEMBL17064198 0.82 HDAC1 (0.40) KCNK3KCNK9LMNATP53
SCHEMBL17064211 0.81 LMNA (0.45) PTGESKCNK3KCNK9PTGS1LMNA
SCHEMBL15639435 0.79 PTGES (0.44) PTGESKCNK3KCNK9PTGS1LMNA
SCHEMBL17064212 0.77 SMN1; SMN2 (0.46) PTGESKCNK3KCNK9PTGS1LMNA
SCHEMBL15638844 0.76 PTGES (0.41) PTGESKCNK3KCNK9PTGS1LMNA
SCHEMBL29571767 0.76 PTGES (0.41) PTGESKCNK3KCNK9PTGS1LMNA
SCHEMBL17073930 0.73 RPS6KA3 (0.47) GAARECQLRXFP1
SCHEMBL17064204 0.73 RXFP1 (0.40) PTGESKCNK3KCNK9PTGS1LMNA
SCHEMBL17145014 0.71 GRIN2B (0.38) LMNAGAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3113618-B1 HETEROCYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-04 — — EP disclosed
US-9920017-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-20 — — US disclosed
US-9920017-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-20 — — US disclosed
US-9920017-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-20 — — US disclosed
US-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 — — US disclosed
US-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 — — US disclosed
US-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 — — US disclosed
EP-3113618-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-01-11 — — EP disclosed
WO-2015132313-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2015-09-11 — — WO disclosed
WO-2015132313-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2015-09-11 — — 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 (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-20170073318-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS PTGES 497/4885KCNK3 2036/4885KCNK9 2902/4885

“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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