SCHEMBL24105221

SCHEMBL24105221

CCCCC(=O)NCCOCC(=O)Nc1ccc(Nc2nccn3c(-c4ccc(OC)cc4)cnc23)cc1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.45
▸ EGFR P00533 6/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TTK P33981 4/20 0.37
▸ AURKA O14965 1/20 0.35

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
SCHEMBL24105224 0.95 KDR (0.43) KDREGFRKDM4ENPC1ALDH1A1
SCHEMBL30371277 0.88 BRD4 (0.42) KDREGFRTTKAURKA
SCHEMBL22125168 0.88 TTK (0.43) KDRALDH1A1HPGDTTK
SCHEMBL30167878 0.87 TTK (0.41) KDREGFRALDH1A1TTKAURKA
SCHEMBL24105238 0.87 TTK (0.41) KDREGFRALDH1A1TTKAURKA
Hydrochloric Acid SCHEMBL30168139 0.86 TTK (0.40) KDREGFRALDH1A1TTKAURKA
Trifluoroacetic Acid SCHEMBL30168162 0.83 TTK (0.38) KDREGFRALDH1A1TTKAURKA
SCHEMBL24104678 0.81 TTK (0.44) KDREGFRKDM4ENPC1ALDH1A1
SCHEMBL30168196 0.81 TTK (0.44) KDREGFRKDM4ENPC1ALDH1A1
SCHEMBL22124802 0.79 TTK (0.45) TTK

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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
WO-2021249893-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — 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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 KDR 4773/4885EGFR 1449/4885KDM4E 3245/4885

“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.

Send feedback