SCHEMBL18623819

SCHEMBL18623819

CC1(C)N=C(c2cnc3nccn3c2)c2cccc(F)c2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
GRM5 P41594 18/20 0.39
TGFBR1 P36897 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
SCHEMBL18623823 0.83 GRM5 (0.45) GRM5
SCHEMBL18623827 0.83 GRM5 (0.34) GRM5
SCHEMBL17080356 0.83 GRM5 (0.34) GRM5TGFBR1
SCHEMBL18623822 0.82 GRM5 (0.43) GRM5
SCHEMBL18623831 0.81 GRM5 (0.34) GRM5
SCHEMBL18623820 0.80 DYRK1A (0.40) DYRK1AGRM5
SCHEMBL18623828 0.80 GRM5 (0.32) GRM5
SCHEMBL18623803 0.80 GRM5 (0.32) GRM5
SCHEMBL17080366 0.78 ABL1 (0.34) GRM5TGFBR1
SCHEMBL18623805 0.78 GABRA1 (0.34) GRM5TGFBR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896454-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2018-02-20 US disclosed
US-9896454-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2018-02-20 US disclosed
US-20170073346-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-03-16 US disclosed
US-20170073346-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-03-16 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 (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-20170073346-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES MSR1, C1R, C3AR1 DYRK1A 563/4885GRM5 1798/4885TGFBR1 714/4885

“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.