SCHEMBL17949460

SCHEMBL17949460

CCSc1ccc(C2CC2)cc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.35
▸ DRD2 P14416 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ GRM2 Q14416 2/20 0.32
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ XPO1 O14980 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ PIK3CA P42336 1/20 0.30
▸ PRKAA2 P54646 1/20 0.30
▸ ACSS2 Q9NR19 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL17949566 0.83 CYP11B1 (0.32) DGAT1
SCHEMBL17832751 0.81 ALDH1A1 (0.35) TLR9
SCHEMBL22199235 0.79 CA2 (0.31) —
SCHEMBL21925124 0.79 KDM4E (0.37) —
SCHEMBL22190321 0.79 MEN1 (0.33) —
SCHEMBL21925161 0.79 CYP2C9 (0.33) —
SCHEMBL17824525 0.78 — —
SCHEMBL20633534 0.78 ALDH1A1 (0.32) TLR9
SCHEMBL30958301 0.78 ALDH1A1 (0.34) —
SCHEMBL29814406 0.78 ALDH1A1 (0.32) TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247712-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-04-20 — — EP disclosed
US-20210332039-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-28 — — US disclosed
US-10981907-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-04-20 — — US disclosed
US-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-05-16 — — US disclosed
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-21 — — US disclosed
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-21 — — US disclosed
WO-2016116338-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-07-28 — — 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 (4 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-10981907-B2 Pesticidally active polycyclic derivatives with sulfur containing substituents DDT, ACHE, GSTM1 CARM1 814/4885DRD2 1471/4885DRD4 966/4885
US-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR CARM1 735/4885DRD2 1543/4885DRD4 1019/4885
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, SQOR, PTMS CARM1 899/4885DRD2 1685/4885DRD4 1158/4885
US-20210332039-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR CARM1 735/4885DRD2 1543/4885DRD4 1019/4885

“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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