SCHEMBL18280674

SCHEMBL18280674

CC1(C)N=C(c2cnn3c(C#N)ccc3c2)c2cccc(F)c2C1(F)F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRA5 P31644 1/20 0.30
GABRA3 P34903 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
SCHEMBL18289265 0.91 GABRG2 (0.32) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL18289298 0.85 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL18280673 0.83
SCHEMBL18280681 0.81 KDM4E (0.31) GABRA1GABRG2GABRB3GABRA2
SCHEMBL18289274 0.80
SCHEMBL28098733 0.80 TGFBR1 (0.32)
SCHEMBL28098566 0.79 GABRA1 (0.30) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL18289228 0.76
SCHEMBL18289300 0.76 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA2
SCHEMBL18289267 0.75

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-3102570-B1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-01-02 EP disclosed
US-9586969-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-03-07 US disclosed
US-9586969-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-03-07 US disclosed
US-9586969-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-03-07 US disclosed
US-20160355518-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-08 US disclosed
US-20160355518-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-08 US disclosed
US-20160355518-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-08 US disclosed
CN-105960402-A Microbicidal heterobicyclic derivatives 先正达参股股份有限公司 2016-09-21 CN 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 (1 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-20160355518-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES MSR1, C1R, C3AR1 GABRA1 1996/4885GABRG2 2555/4885GABRB3 2968/4885

“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.