SCHEMBL17064204

SCHEMBL17064204

O=C(Nc1ncn(-c2c(F)cccc2C(F)(F)F)n1)c1ccccc1I

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 4/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTGES O14684 3/20 0.37
▸ LMNA P02545 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ EPHB3 P54753 1/20 0.35
▸ STIM1 Q13586 1/20 0.35
▸ ORAI1 Q96D31 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ACSS2 Q9NR19 1/20 0.35

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
SCHEMBL17064211 0.88 LMNA (0.45) RXFP1KMT2APTGESLMNAPTGS1
SCHEMBL17064201 0.85 KCNK3 (0.44) KMT2ASMN1; SMN2MEN1PTGESLMNA
SCHEMBL17064212 0.83 SMN1; SMN2 (0.46) RXFP1KMT2ASMN1; SMN2PTGESLMNA
SCHEMBL17064208 0.77 KDR (0.45) KMT2ASMN1; SMN2MEN1TDP1POLB
SCHEMBL17073933 0.75 KMT2A (0.44) RXFP1KMT2ASMN1; SMN2MEN1TDP1
SCHEMBL17073927 0.74 MEN1 (0.44) RXFP1KMT2ASMN1; SMN2MEN1TDP1
SCHEMBL17064210 0.73 PTGES (0.41) RXFP1PTGESLMNAPTGS1KCNK3
SCHEMBL17064215 0.71 SMN1; SMN2 (0.43) RXFP1KMT2ASMN1; SMN2LMNA
SCHEMBL17111294 0.69 STIM1 (0.51) RXFP1SMN1; SMN2PTGESLMNAPTGS1
SCHEMBL17064200 0.68 HSD11B1 (0.34) STIM1ORAI1NR3C1SCN9A

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 8 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-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 RXFP1 2915/4885KMT2A 2577/4885SMN1; SMN2 2195/4885

“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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