SCHEMBL20474202

SCHEMBL20474202

CC1(C)N=C(c2cnc3c(Br)cccn23)c2cccc(F)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
IDO1 P14902 10/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
MAP4K1 Q92918 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL20474185 0.92 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18497876 0.84 FEN1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20474199 0.81 IDO1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20474181 0.80 IDO1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20474176 0.80 IDO1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20474229 0.79 IDO1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20474226 0.78 KDM4E (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17080355 0.76 KDR (0.41) CA1CA2CA7CA9
SCHEMBL20474149 0.74 MAP4K1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20474147 0.74 MAP4K1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3

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.