SCHEMBL30171830

SCHEMBL30171830

CCc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)NCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.37
▸ ITK Q08881 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ BUB1 O43683 2/20 0.33
▸ ACVR1B P36896 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ PTK6 Q13882 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.31
▸ TTK P33981 3/20 0.31
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL30183696 0.96 BRD4 (0.38) BRD4ITKEGFRBUB1ACVR1B
SCHEMBL22123367 0.96 BRD4 (0.38) BRD4ITKEGFRBUB1ACVR1B
SCHEMBL30171844 0.94 BRD4 (0.37) BRD4ITKEGFRBUB1ACVR1B
SCHEMBL30385261 0.92 BRD4 (0.39) BRD4ITKEGFRBUB1ACVR1B
SCHEMBL22123385 0.92 TTK (0.33) PTK6TTKIRAK4
SCHEMBL22123363 0.92 BRD4 (0.36) BRD4ITKEGFRBUB1ACVR1B
SCHEMBL22124583 0.91 MAPKAPK5 (0.33) PTK6TTKIRAK4
SCHEMBL30171576 0.91 MAPKAPK5 (0.33) PTK6TTKIRAK4
SCHEMBL30172091 0.91 ITK (0.39) BRD4ITKEGFRBUB1ACVR1B
SCHEMBL24112570 0.90 PTK6 (0.33) PTK6TTKIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — 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 (5 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 BRD4 735/4885ITK 816/4885EGFR 1595/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 BRD4 735/4885ITK 816/4885EGFR 1595/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 BRD4 687/4885ITK 814/4885EGFR 1591/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X BRD4 197/4885ITK 565/4885EGFR 1297/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 BRD4 596/4885ITK 715/4885EGFR 1690/4885

“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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