SCHEMBL30172017

SCHEMBL30172017

N#CCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCCCCN)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 5/20 0.40
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ TTK P33981 3/20 0.32
▸ BRAF P15056 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CDK1 P06493 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ GRM4 Q14833 1/20 0.30
▸ BCL6 P41182 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL22122996 1.00 PTK6 (0.40) PTK6MAPKAPK5TTKBRAFLRRK2
SCHEMBL22124640 1.00 PTK6 (0.40) PTK6MAPKAPK5TTKBRAFLRRK2
SCHEMBL22123050 1.00 PTK6 (0.40) PTK6MAPKAPK5TTKBRAFLRRK2
SCHEMBL30171949 1.00 PTK6 (0.40) PTK6MAPKAPK5TTKBRAFLRRK2
SCHEMBL30171981 1.00 PTK6 (0.40) PTK6MAPKAPK5TTKBRAFLRRK2
SCHEMBL22122941 0.99 PTK6 (0.41) PTK6MAPKAPK5TTKBRAFLRRK2
SCHEMBL30171741 0.99 PTK6 (0.41) PTK6MAPKAPK5TTKBRAFLRRK2
SCHEMBL22160965 0.93 PTK6 (0.40) PTK6KDM4EGAASMN1; SMN2LCK
SCHEMBL22123532 0.90 PTK6 (0.42) PTK6MAPKAPK5TTKLRRK2BCL6
SCHEMBL22123658 0.90 PTK6 (0.42) PTK6MAPKAPK5TTKLRRK2BCL6

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 2211/4885MAPKAPK5 647/4885TTK 4482/4885

“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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