SCHEMBL30349902

SCHEMBL30349902

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCNCCO)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.41
▸ BCL6 P41182 3/20 0.38
▸ P2RX3 P56373 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ PDE5A O76074 3/20 0.35
▸ POLB P06746 2/20 0.34
▸ LCK P06239 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TTK P33981 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ BUB1 O43683 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
SCHEMBL22125118 1.00 PTK6 (0.41) PTK6BCL6P2RX3LRRK2PDE5A
SCHEMBL24112594 0.90 PTK6 (0.41) PTK6BCL6PDE5APOLBALK
SCHEMBL22124504 0.90 PTK6 (0.42) PTK6BCL6LRRK2TTKALK
SCHEMBL24112398 0.90 PTK6 (0.44) PTK6BCL6POLBLCKTTK
SCHEMBL24112596 0.90 PTK6 (0.40) PTK6BCL6P2RX3LRRK2PDE5A
SCHEMBL25450750 0.90 PTK6 (0.42) PTK6BCL6LRRK2LCKTTK
SCHEMBL22123532 0.90 PTK6 (0.42) PTK6BCL6LRRK2PDE5ATTK
SCHEMBL22123365 0.90 PTK6 (0.42) PTK6BCL6LRRK2PDE5ATTK
SCHEMBL22123658 0.90 PTK6 (0.42) PTK6BCL6LRRK2PDE5ATTK
Hydrochloric Acid SCHEMBL30171699 0.90 PTK6 (0.42) PTK6BCL6LRRK2TTKALK

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
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885BCL6 3737/4885P2RX3 1517/4885

“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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