SCHEMBL22123564

SCHEMBL22123564

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCCCCCCN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.41
▸ MCHR2 Q969V1 2/20 0.41
▸ AXL P30530 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ DRD2 P14416 5/20 0.37
▸ DRD4 P21917 5/20 0.37
▸ DRD3 P35462 5/20 0.37
▸ DRD1 P21728 3/20 0.37
▸ HTR2A P28223 3/20 0.37
▸ HTR1A P08908 3/20 0.37
▸ ADRA1D P25100 3/20 0.37
▸ ADRA1A P35348 3/20 0.37
▸ ADRA1B P35368 3/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ SMYD2 Q9NRG4 1/20 0.37
▸ HTR4 Q13639 1/20 0.37
▸ KDR P35968 1/20 0.36

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
SCHEMBL25014260 0.90 PTK6 (0.35) AXL
SCHEMBL25452873 0.90 PTK6 (0.35) AXL
SCHEMBL24112433 0.90 SYK (0.36) AXLKDRMAPTHPGD
SCHEMBL30171724 0.90 KDR (0.38) MCHR1MCHR2CHRNA7KCNH2SMYD2
SCHEMBL22123746 0.90 KDR (0.38) MCHR1MCHR2CHRNA7KCNH2SMYD2
SCHEMBL22123676 0.89 SYK (0.36) AXL
SCHEMBL22123449 0.89 SYK (0.36) AXL
SCHEMBL22123726 0.89 SYK (0.36) AXL
SCHEMBL22123913 0.89 SYK (0.36) AXL
SCHEMBL22160896 0.89 PTK6 (0.36) AXLKDRALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — 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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 MCHR1 2752/4885MCHR2 4138/4885AXL 2849/4885

“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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