SCHEMBL21187488

SCHEMBL21187488

COc1ccc(-c2c(C)ncnc2-n2nnc3cc(Cl)cc(F)c32)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ DRD1 P21728 3/20 0.37
▸ CRHR1 P34998 4/20 0.36
▸ PDE2A O00408 7/20 0.35
▸ PDE10A Q9Y233 3/20 0.34
▸ KDR P35968 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL21187486 0.88 GRM2 (0.38) IDO1TDO2DRD1PDE2APDE10A
SCHEMBL21187509 0.86 IDO1 (0.40) IDO1TDO2DRD1CRHR1PDE2A
SCHEMBL21187445 0.83 DRD1 (0.38) IDO1TDO2DRD1CRHR1PDE2A
SCHEMBL21187489 0.79 IDO1 (0.41) IDO1TDO2CRHR1PDE2APDE10A
SCHEMBL21187499 0.77 DRD1 (0.35) DRD1CRHR1PDE2APDE10AHSD11B1
SCHEMBL15688522 0.74 DRD1 (0.53) DRD1CRHR1KMT2A
SCHEMBL21187510 0.73 HSD11B1 (0.36) IDO1TDO2PDE2APDE10APOLB
SCHEMBL21187511 0.71 IDO1 (0.35) IDO1TDO2CRHR1PDE2APDE10A
SCHEMBL21187446 0.70 HSD11B1 (0.39) DRD1PDE2APDE10AHSD11B1
SCHEMBL21187437 0.69 HSP90AA1 (0.48) DRD1CRHR1KDRKMT2A

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 IDO1 373/4885TDO2 497/4885DRD1 1273/4885

“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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