SCHEMBL25173550

SCHEMBL25173550

CS(=O)(=O)OCCOCCNC(=O)c1ccc(Nc2nccn3c(I)cnc23)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 13/20 0.42
▸ ADORA3 P0DMS8 1/20 0.34
▸ LCK P06239 4/20 0.34
▸ AURKB Q96GD4 3/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ BRD4 O60885 3/20 0.33
▸ BRDT Q58F21 3/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 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
SCHEMBL28982156 0.89 PTK6 (0.43) PTK6ADORA3LCKPIM1PIM2
SCHEMBL22123571 0.82 BRAF (0.41) PTK6PIM1PIM2BRD4KDM4E
SCHEMBL22123829 0.80 TTK (0.35) PTK6PIM1PIM2BRD4
SCHEMBL28961286 0.80 PTK6 (0.47) PTK6ADORA3LCKAURKBPIM1
SCHEMBL22125113 0.79 BRAF (0.41) PTK6PIM1PIM2BRD4KDM4E
SCHEMBL28961447 0.78 PTK6 (0.51) PTK6ADORA3LCKAURKB
SCHEMBL28605383 0.78 BRD4 (0.47) PTK6BRD4
SCHEMBL22124311 0.77 BRD4 (0.44) PTK6BRD4CA12CA1CA2
SCHEMBL22123948 0.77 PTK6 (0.49) PTK6ADORA3LCKAURKBKDM4E
Trifluoroacetic Acid SCHEMBL30385267 0.77 PTK6 (0.40) PTK6ADORA3KDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP 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-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES IKZF3, RRP15, IK PTK6 925/4885ADORA3 1066/4885LCK 1817/4885

“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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