SCHEMBL20474166

SCHEMBL20474166

CC1(C)N=C(c2cnc3c(C#N)cccn23)c2cccc(F)c2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 18/20 0.43
GABRG2 P18507 18/20 0.43
GABRB3 P28472 18/20 0.43
GABRA3 P34903 17/20 0.43
GABRA5 P31644 11/20 0.43
GABRA2 P47869 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
FLT3 P36888 1/20 0.32

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
SCHEMBL20474208 0.90 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL20474212 0.88 IDO1 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL20474181 0.85 IDO1 (0.34) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL20474174 0.85 IDO1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL30829060 0.85 IDO1 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL20474190 0.84 PIK3CA (0.35) GABRA1GABRG2GABRB3GABRA3
SCHEMBL20474170 0.84 IDO1 (0.35) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL20474172 0.84 IDO1 (0.33) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL20474247 0.83 IDO1 (0.39) GABRA1GABRG2GABRB3GABRA3
SCHEMBL30463653 0.83 IDO1 (0.39) GABRA1GABRG2GABRB3GABRA3

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 GABRA1 2310/4885GABRG2 2592/4885GABRB3 3132/4885
US-20210155619-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES CD14, MSR1, MPO GABRA1 1981/4885GABRG2 1453/4885GABRB3 1367/4885
US-20180237434-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES MSR1, C1R, C1S GABRA1 2310/4885GABRG2 2592/4885GABRB3 3132/4885

“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.