SCHEMBL17949440

SCHEMBL17949440

CC[S+]([O-])c1ccc(C2CC2)nc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ PDE2A O00408 3/20 0.31
▸ PDE10A Q9Y233 3/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL23398076 0.84 — —
SCHEMBL23398052 0.84 — —
SCHEMBL17941382 0.81 PDE2A (0.32) DRD2DRD3PDE2APDE10ATSHR
SCHEMBL17941542 0.80 CNR2 (0.33) DRD2DRD3PDE2APDE10ATSHR
SCHEMBL23398105 0.78 — —
SCHEMBL23398053 0.78 ACVR1 (0.30) —
SCHEMBL23398069 0.77 — —
SCHEMBL23398051 0.77 — —
SCHEMBL20406049 0.76 — —
SCHEMBL24286321 0.75 CYP11B1 (0.31) —

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-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 (2 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-20190144445-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, SQOR DRD2 1543/4885DRD3 854/4885PDE2A 1636/4885
US-20170362224-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, SQOR, PTMS DRD2 1685/4885DRD3 1019/4885PDE2A 1527/4885

“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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