SCHEMBL21187474

SCHEMBL21187474

COc1ccc(-c2c(-n3cnc4cc(Br)cc(F)c43)ccnc2Cl)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ DYRK1A Q13627 3/20 0.32
▸ FGFR1 P11362 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NCOA3 Q9Y6Q9 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

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
SCHEMBL21187470 0.91 PTGS1 (0.40) PTGS1PTGS2DYRK1AFGFR1ALDH1A1
SCHEMBL21187511 0.84 IDO1 (0.35) PTGS1PTGS2DYRK1ACDC7CCNT1
SCHEMBL21187456 0.77 MAPK14 (0.36) PTGS1PTGS2
SCHEMBL21187475 0.77 HSD11B1 (0.36) PTGS1PTGS2MAPK1
SCHEMBL21187489 0.74 IDO1 (0.41) PTGS1PTGS2DYRK1ACRHR1HSP90AA1
SCHEMBL21187445 0.71 DRD1 (0.38) PTGS1PTGS2ALDH1A1HTTCRHR1
SCHEMBL24158236 0.70 HSP90AA1 (0.35) DYRK1ACDC7CCNT1CSNK2A2CCNE1
SCHEMBL21187499 0.70 DRD1 (0.35) PTGS1PTGS2ALDH1A1HTTCRHR1
SCHEMBL20698033 0.69 CRHR1 (0.37) PTGS1PTGS2CRHR1
SCHEMBL21187472 0.67 FGFR1 (0.33) FGFR1

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 PTGS1 2855/4885PTGS2 1986/4885DYRK1A 3642/4885

“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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