SCHEMBL25174076

SCHEMBL25174076

COc1ccc(-c2cnc3c(Nc4ccc(Cn5ccnc5)c(C)c4)nccn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.43
▸ SRC P12931 3/20 0.42
▸ CYP19A1 P11511 7/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ AURKB Q96GD4 2/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ TTK P33981 2/20 0.38
▸ CYP11B2 P19099 1/20 0.37
▸ AURKA O14965 1/20 0.37

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
SCHEMBL24104689 0.86 TTK (0.42) SRCAURKBFLT3TTKAURKA
SCHEMBL30167709 0.86 TTK (0.42) SRCAURKBFLT3TTKAURKA
SCHEMBL24105038 0.86 CYP11B1 (0.54) CYP11B1SRCCYP19A1CYP17A1TTK
SCHEMBL24104659 0.82 CYP19A1 (0.40) CYP11B1CYP19A1AURKBCYP11B2
SCHEMBL30167690 0.82 CYP19A1 (0.40) CYP11B1CYP19A1AURKBCYP11B2
SCHEMBL30168171 0.81 EIF2AK4 (0.46) SRCAURKBFLT3TTKAURKA
Hydrochloric Acid SCHEMBL30168143 0.81 EIF2AK4 (0.45) SRCAURKBFLT3TTKAURKA
SCHEMBL24104677 0.81 SRC (0.44) SRCAURKBFLT3TTKAURKA
SCHEMBL24910461 0.79 SRC (0.43) SRCAURKBFLT3TTKAURKA
SCHEMBL25173790 0.78 TTK (0.48) SRCTTKAURKA

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
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — 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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 CYP11B1 1126/4885SRC 2189/4885CYP19A1 2699/4885

“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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