SCHEMBL20474181

SCHEMBL20474181

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.34
GABRA1 P14867 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31
GABRA3 P34903 3/20 0.31
GABRA5 P31644 2/20 0.31
PIM1 P11309 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL20474212 0.92 IDO1 (0.35) IDO1GABRA1GABRG2GABRB3GABRA3
SCHEMBL20474199 0.90 IDO1 (0.35) IDO1GABRA1GABRG2GABRB3GABRA3
SCHEMBL30829060 0.89 IDO1 (0.38) IDO1GABRA1GABRG2GABRB3GABRA3
SCHEMBL20474174 0.89 IDO1 (0.38) IDO1GABRA1GABRG2GABRB3GABRA3
SCHEMBL20474172 0.88 IDO1 (0.33) IDO1GABRA1GABRG2GABRB3GABRA3
SCHEMBL20474170 0.88 IDO1 (0.35) IDO1GABRA1GABRG2GABRB3GABRA3
SCHEMBL20474247 0.87 IDO1 (0.39) IDO1GABRA1GABRG2GABRB3GABRA3
SCHEMBL30463653 0.87 IDO1 (0.39) IDO1GABRA1GABRG2GABRB3GABRA3
SCHEMBL20474190 0.86 PIK3CA (0.35) IDO1GABRA1GABRG2GABRB3GABRA3
SCHEMBL20474225 0.86 IDO1 (0.34) IDO1GABRA1GABRG2GABRB3GABRA3

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 175/4885GABRA1 2310/4885GABRG2 2592/4885
US-20210155619-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES CD14, MSR1, MPO IDO1 618/4885GABRA1 1981/4885GABRG2 1453/4885
US-20180237434-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES MSR1, C1R, C1S IDO1 175/4885GABRA1 2310/4885GABRG2 2592/4885

“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.