SCHEMBL22123078

SCHEMBL22123078

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCCN1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 5/20 0.43
▸ HTR4 Q13639 2/20 0.39
▸ AURKB Q96GD4 3/20 0.39
▸ FGFR3 P22607 1/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ EIF4E P06730 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ TTK P33981 2/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ SUV39H1 O43463 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ EGFR P00533 2/20 0.34
▸ ERBB2 P04626 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
SCHEMBL30171622 1.00 PTK6 (0.43) PTK6HTR4AURKBFGFR3CCNT1
SCHEMBL22123977 0.93 PTK6 (0.44) PTK6HTR4AURKBFGFR3CCNT1
SCHEMBL30171824 0.93 PTK6 (0.44) PTK6HTR4AURKBFGFR3CCNT1
SCHEMBL30171940 0.92 PTK6 (0.51) PTK6HTR4AURKBLCKEGFR
SCHEMBL30183124 0.92 PTK6 (0.46) PTK6AURKBFGFR3LCKTTK
Hydrochloric Acid SCHEMBL30171690 0.92 PTK6 (0.43) PTK6HTR4AURKBFGFR3CCNT1
SCHEMBL22122928 0.92 PTK6 (0.51) PTK6HTR4AURKBLCKEGFR
SCHEMBL22142746 0.91 PTK6 (0.47) PTK6AURKBFGFR3LCKTTK
SCHEMBL22123025 0.90 MAPT (0.37) PTK6TTKEGFRERBB2
SCHEMBL30171880 0.90 MAPT (0.37) PTK6TTKEGFRERBB2

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
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
US-20230012368-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 (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-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK6 2211/4885HTR4 3666/4885AURKB 3359/4885

“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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