SCHEMBL25473176

SCHEMBL25473176

Cn1ccc2ncnc(C(C)(C)C)c21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
KDR P35968 15/20 0.39
BRAF P15056 1/20 0.36
TNNI3K Q59H18 1/20 0.36
FGFR1 P11362 2/20 0.35
EIF4E P06730 2/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
ERBB3 P21860 1/20 0.33
ERBB4 Q15303 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
SCHEMBL13856330 0.75 IRAK4 (0.43) IRAK4KDRBRAFTNNI3KEIF4E
SCHEMBL27684236 0.73 IRAK4 (0.42) IRAK4KDREIF4EMKNK1MKNK2
SCHEMBL4287549 0.73 KDR (0.43) IRAK4KDREIF4EMKNK1MKNK2
SCHEMBL23135905 0.73 IRAK4 (0.42) IRAK4KDRBRAFTNNI3KEIF4E
SCHEMBL130754 0.73 KDR (0.44) IRAK4KDRMKNK1MKNK2EGFR
SCHEMBL21341525 0.73
Hydrochloric Acid SCHEMBL27684235 0.72 IRAK4 (0.41) IRAK4KDREIF4EMKNK1MKNK2
SCHEMBL15079235 0.70 NOTUM (0.44) KDRBRAF
SCHEMBL25527654 0.70 ABL1 (0.34)
SCHEMBL19530470 0.70 PI4KA (0.33)

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-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
EP-4180434-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-05-17 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-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 IRAK4 4445/4885KDR 3605/4885BRAF 702/4885

“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.