SCHEMBL21187501

SCHEMBL21187501

COc1cc(F)c(-c2c(C)ncnc2-n2cnc3cc(Cl)cc(F)c32)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM8 O00222 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GRM7 Q14831 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ PTGS2 P35354 2/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ FGFR1 P11362 1/20 0.30
▸ PRPS1 P60891 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
SCHEMBL21187445 0.84 DRD1 (0.38) ALDH1A1HTTGFERPTGS2PTGS1
SCHEMBL20698206 0.79 PDE10A (0.39) GRM8CYP1A2GRM7ALDH1A1HTT
SCHEMBL21187499 0.77 DRD1 (0.35) ALDH1A1HTTGFERPTGS2PTGS1
SCHEMBL21187446 0.77 HSD11B1 (0.39) PTGS2PTGS1
SCHEMBL17178271 0.73 CYP1A2 (0.47) GRM8CYP1A2GRM7ALDH1A1
SCHEMBL24158380 0.73 CYP11B2 (0.35) GRM8CYP1A2GRM7
SCHEMBL21187459 0.71 DPP4 (0.39) CYP1A2ALDH1A1
SCHEMBL21182369 0.70 HSD11B1 (0.39) PTGS2PTGS1
SCHEMBL30941226 0.69 THRB (0.41) GRM8CYP1A2GRM7
SCHEMBL20698117 0.67 PDE2A (0.39) GRM8CYP1A2GRM7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740474-B1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2022-01-05 — — EP disclosed
US-20200339543-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2020-10-29 — — US disclosed
WO-2019141972-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 — — WO 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-20200339543-A1 AGRICULTURAL CHEMICALS ABAT, BRDT, GABBR1 GRM8 3522/4885CYP1A2 20/4885GRM7 2591/4885

“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.

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