SCHEMBL21187454

SCHEMBL21187454

COc1ccc(-c2c(C)ccnc2N)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.49
▸ HSP90AB1 P08238 2/20 0.49
▸ NOS3 P29474 3/20 0.44
▸ NOS2 P35228 3/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ CDC7 O00311 1/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CSNK2A2 P19784 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CSNK2B P67870 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ DBF4 Q9UBU7 1/20 0.43
▸ DYRK1A Q13627 3/20 0.39
▸ DRD1 P21728 2/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ CCR5 P51681 1/20 0.39

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
SCHEMBL21187437 0.81 HSP90AA1 (0.48) HSP90AA1HSP90AB1CDC7CCNT1CSNK2A2
SCHEMBL21187452 0.79 HSP90AA1 (0.49) HSP90AA1HSP90AB1NOS3NOS2NOS1
SCHEMBL21187438 0.79 HSD11B1 (0.42) NOS3NOS2NPC1SCN10A
SCHEMBL14150181 0.75 ILK (0.53) HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL15688522 0.75 DRD1 (0.53) HSP90AA1HSP90AB1DRD1CRHR1CYP11B1
SCHEMBL24158238 0.74 HSP90AA1 (0.37) HSP90AA1HSP90AB1NOS3NOS2NOS1
SCHEMBL12325069 0.73 HSP90AA1 (0.56) HSP90AA1HSP90AB1CRHR1CYP11B1CYP11B2
SCHEMBL17178231 0.73 HSP90AA1 (0.55) HSP90AA1HSP90AB1NOS3NOS2NOS1
SCHEMBL1868350 0.72 HSP90AA1 (0.48) HSP90AA1HSP90AB1DRD1CRHR1MEN1
SCHEMBL30782544 0.72 DYRK1A (0.50) HSP90AA1NOS3NOS2NOS1DYRK1A

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 HSP90AA1 3401/4885HSP90AB1 2762/4885NOS3 725/4885

“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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