SCHEMBL21187511

SCHEMBL21187511

COc1ccc(-c2c(-n3nnc4cc(Br)cc(F)c43)ccnc2Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ KMT2A Q03164 1/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ DBF4 Q9UBU7 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PDE2A O00408 2/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ CRHR1 P34998 2/20 0.30
▸ NCF1 P14598 1/20 0.30
▸ PTGES O14684 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
SCHEMBL21187489 0.91 IDO1 (0.41) IDO1TDO2KMT2AGAAPDE2A
SCHEMBL21187474 0.84 PTGS1 (0.36) IDO1TDO2CDC7CCNT1CSNK2A2
SCHEMBL21187512 0.78 GRM2 (0.36) IDO1TDO2
SCHEMBL21187509 0.75 IDO1 (0.40) IDO1TDO2KMT2ACDC7CCNT1
SCHEMBL21187470 0.75 PTGS1 (0.40) IDO1TDO2GAACRHR1HSP90AA1
SCHEMBL21187488 0.71 IDO1 (0.40) IDO1TDO2KMT2APDE2APDE10A
SCHEMBL24158236 0.69 HSP90AA1 (0.35) CDC7CCNT1CSNK2A2CCNE1CDK2
SCHEMBL21187452 0.66 HSP90AA1 (0.49) KMT2ACDC7CCNT1CSNK2A2CCNE1
SCHEMBL25341588 0.65 MET (0.42) KMT2A
SCHEMBL21187510 0.62 HSD11B1 (0.36) IDO1TDO2PDE2APDE10A

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 497/4885KMT2A 347/4885

“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.

Send feedback