SCHEMBL22123945

SCHEMBL22123945

Cc1cc(Nc2nccn3c(-c4ccc(OCc5ccccc5)c(F)c4F)cnc23)ccc1C(=O)N1CCC(CN)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 5/20 0.40
▸ TTK P33981 4/20 0.38
▸ CYP2C9 P11712 2/20 0.36
▸ MAP3K7 O43318 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TAB1 Q15750 1/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.36
▸ AURKB Q96GD4 2/20 0.35
▸ LCK P06239 2/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ MAPK8 P45983 2/20 0.35
▸ MAPK9 P45984 2/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ CAMK1D Q8IU85 1/20 0.34
▸ NEK2 P51955 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
Formic Acid SCHEMBL22123877 0.97 PTK6 (0.39) PTK6TTKCYP2C9MAP3K7CYP3A4
SCHEMBL22124271 0.95 PTK6 (0.40) PTK6TTKCYP2C9MAP3K7CYP3A4
SCHEMBL22124154 0.94 PTK6 (0.39) PTK6TTKMAPKAPK5AURKBLCK
Formic Acid SCHEMBL22123276 0.93 PTK6 (0.39) PTK6TTKCYP2C9MAP3K7CYP3A4
SCHEMBL22123959 0.92 PTK6 (0.40) PTK6TTKCYP2C9MAP3K7CYP3A4
SCHEMBL30177717 0.92 PTK6 (0.40) PTK6TTKCYP2C9MAP3K7CYP3A4
Formic Acid SCHEMBL30183402 0.92 PTK6 (0.38) PTK6TTKMAPKAPK5AURKBLCK
Formic Acid SCHEMBL22124318 0.92 PTK6 (0.38) PTK6TTKMAPKAPK5AURKBLCK
SCHEMBL22123938 0.91 PTK6 (0.43) PTK6TTKMAPKAPK5AURKBLCK
SCHEMBL30171750 0.91 PTK6 (0.43) PTK6TTKMAPKAPK5AURKBLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
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-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898631-B1 NOVEL 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
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020127075-A1 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 (4 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 PTK6 2201/4885TTK 4546/4885CYP2C9 251/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885TTK 4573/4885CYP2C9 241/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X PTK6 1818/4885TTK 4519/4885CYP2C9 160/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK6 2211/4885TTK 4482/4885CYP2C9 284/4885

“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