SCHEMBL30171824

SCHEMBL30171824

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCN5CCNCC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 4/20 0.44
▸ TTK P33981 6/20 0.42
▸ AURKB Q96GD4 2/20 0.40
▸ HTR4 Q13639 2/20 0.40
▸ FGFR3 P22607 1/20 0.39
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ PTK2 Q05397 1/20 0.37
▸ EIF4E P06730 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ SUV39H1 O43463 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.36
▸ EGFR P00533 2/20 0.36
▸ ERBB2 P04626 1/20 0.36

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
SCHEMBL22123977 1.00 PTK6 (0.44) PTK6TTKAURKBHTR4FGFR3
Hydrochloric Acid SCHEMBL30171690 0.99 PTK6 (0.43) PTK6TTKAURKBHTR4FGFR3
SCHEMBL22122922 0.96 PTK6 (0.43) PTK6TTKAURKBFGFR3EGFR
SCHEMBL30171553 0.96 PTK6 (0.43) PTK6TTKAURKBFGFR3EGFR
SCHEMBL25444479 0.95 PTK6 (0.42) PTK6TTKAURKBFGFR3PTK2
SCHEMBL22123078 0.93 PTK6 (0.43) PTK6TTKAURKBHTR4FGFR3
SCHEMBL22122928 0.93 PTK6 (0.51) PTK6AURKBHTR4EGFRERBB2
SCHEMBL30171940 0.93 PTK6 (0.51) PTK6AURKBHTR4EGFRERBB2
SCHEMBL30171622 0.93 PTK6 (0.43) PTK6TTKAURKBHTR4FGFR3
SCHEMBL30183403 0.92 PTK6 (0.47) PTK6TTKAURKBPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2211/4885TTK 4482/4885AURKB 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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