SCHEMBL22123025

SCHEMBL22123025

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCCN1CCN(CCCC(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MCHR1 Q99705 3/20 0.35
▸ MCHR2 Q969V1 1/20 0.35
▸ PTK6 Q13882 1/20 0.35
▸ EGFR P00533 4/20 0.35
▸ ERBB2 P04626 3/20 0.35
▸ DRD3 P35462 4/20 0.34
▸ DRD2 P14416 3/20 0.34
▸ DRD4 P21917 3/20 0.34
▸ DRD1 P21728 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA1D P25100 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
SCHEMBL30171880 1.00 MAPT (0.37) MAPTKDM4EGAAALDH1A1TP53
SCHEMBL22123044 0.91 TTK (0.36) PTK6AXLTTK
SCHEMBL22123078 0.90 PTK6 (0.43) PTK6EGFRERBB2TTK
SCHEMBL30171622 0.90 PTK6 (0.43) PTK6EGFRERBB2TTK
SCHEMBL22123564 0.89 MCHR1 (0.41) MAPTKDM4EGAAALDH1A1TP53
SCHEMBL22123335 0.89 CHRM4 (0.37) PTK6AXLTTK
SCHEMBL30171908 0.88 PTK6 (0.36) MCHR1MCHR2PTK6EGFRERBB2
SCHEMBL22123369 0.88 PTK6 (0.36) MCHR1MCHR2PTK6EGFRERBB2
SCHEMBL22124841 0.88 TTK (0.34) MAPTKDM4EGAAALDH1A1TP53
SCHEMBL22124866 0.88 TTK (0.34) MAPTKDM4EGAAALDH1A1TP53

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 MAPT 3791/4885KDM4E 3688/4885GAA 1417/4885

“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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