SCHEMBL30171755

SCHEMBL30171755

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCN5CCNC(C(=O)O)C5)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 12/20 0.43
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LCK P06239 4/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AURKB Q96GD4 2/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ MCHR1 Q99705 2/20 0.34
▸ MCHR2 Q969V1 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
SCHEMBL24870892 1.00 PTK6 (0.43) PTK6EGFRERBB2KDM4EGAA
SCHEMBL30183416 0.90 PTK6 (0.50) PTK6EGFRERBB2KDM4EGAA
SCHEMBL25013702 0.87 PTK6 (0.38) PTK6EGFRERBB2KDM4EGAA
SCHEMBL22124741 0.87 PTK6 (0.40) PTK6LCKAURKB
SCHEMBL30171940 0.86 PTK6 (0.51) PTK6EGFRERBB2LCKAURKB
SCHEMBL22122928 0.86 PTK6 (0.51) PTK6EGFRERBB2LCKAURKB
SCHEMBL22123256 0.86 PTK6 (0.55) PTK6LCKAURKB
SCHEMBL22123217 0.85 PTK6 (0.48) PTK6EGFRERBB2LCKAURKB
SCHEMBL22124457 0.84 TTK (0.42) PTK6KDM4EGAASMN1; SMN2MAPT
SCHEMBL24870811 0.84 PTK6 (0.40) PTK6LCKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2211/4885EGFR 1690/4885ERBB2 1157/4885

“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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