SCHEMBL20474176

SCHEMBL20474176

CC1(C)N=C(c2cnc3c(Br)cccn23)c2cccc(F)c2C1Br

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.33
TDO2 P48775 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
MAP4K1 Q92918 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
SCHEMBL20474146 0.94 MAP4K1 (0.34) IDO1TDO2GABRA1GABRG2GABRB3
SCHEMBL20474229 0.88 IDO1 (0.34) IDO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL20474173 0.85 IDO1 (0.32) IDO1MAP4K1
SCHEMBL20474223 0.81 IDO1 (0.35) IDO1TDO2GABRA1GABRG2GABRB3
SCHEMBL20474202 0.80 GABRA1 (0.37) IDO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL20474181 0.79 IDO1 (0.34) IDO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL20474199 0.78 IDO1 (0.35) IDO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL20474226 0.77 KDM4E (0.33) IDO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL22930598 0.76 MAP4K1 (0.35) IDO1MAP4K1
SCHEMBL17080354 0.75 KDR (0.41) IDO1TDO2

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-3929197-B1 INTERMEDIATES FOR THE SYNTHESIS OF MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2024-03-06 EP disclosed
EP-3334736-B1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-06-28 EP disclosed
EP-3929197-A1 INTERMEDIATES FOR THE SYNTHESIS OF MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-12-29 EP disclosed
US-20210155619-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-05-27 US disclosed
US-20210155619-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-05-27 US disclosed
US-10906897-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-02-02 US disclosed
US-10906897-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-02-02 US disclosed
US-20180237434-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-08-23 US 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 (3 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-10906897-B2 Microbiocidal heterobicyclic derivatives MSR1, C1R, C1S IDO1 175/4885TDO2 601/4885GABRA1 2310/4885
US-20210155619-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES CD14, MSR1, MPO IDO1 618/4885TDO2 2197/4885GABRA1 1981/4885
US-20180237434-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES MSR1, C1R, C1S IDO1 175/4885TDO2 601/4885GABRA1 2310/4885

“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.