SCHEMBL16654724

SCHEMBL16654724

NCC(F)(F)c1ncc(-c2ccc(F)cc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 7/20 0.36
▸ GRIN1 Q05586 2/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP3 Q9Y6F1 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL17991467 0.85 PDGFRB (0.38) GRIN2BGRIN1ALDH1A1CYP1A2CYP3A4
SCHEMBL14920915 0.76 GRIN2B (0.40) GRIN2BALDH1A1CYP2C9
SCHEMBL17713162 0.75 KIF11 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16540711 0.73 PLAU (0.40) GRIN2B
SCHEMBL15999659 0.73 NOS3 (0.33) GRIN2B
SCHEMBL14920301 0.73 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4HPGDCYP2C19
SCHEMBL19190114 0.71 — —
SCHEMBL16665036 0.70 TP53 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19CHRNA7
SCHEMBL16771868 0.70 CYP11B2 (0.50) GRIN2BGRIN1PIK3CDCYP3A4CYP2C9
SCHEMBL19998622 0.69 PDGFRB (0.44) GRIN2BGRIN1MAP4K4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 — — US disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 — — US disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 — — US disclosed
EP-3057939-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS Bayer Animal Health GmbH (DE) 2016-08-24 — — EP disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 — — US disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 — — US disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 — — US disclosed
WO-2015055535-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2015-04-23 — — WO disclosed
WO-2015055535-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2015-04-23 — — 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-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ACHE, DDT, NIT2 GRIN2B 391/4885GRIN1 721/4885GRM5 741/4885

“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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