SCHEMBL30349820

SCHEMBL30349820

CCc1cc(Nc2nccn3c(-c4ccc(Cl)c(F)c4F)cnc23)ccc1C(=O)NCCCNC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.39
▸ TTK P33981 6/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BRAF P15056 1/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ IDO1 P14902 3/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL22125051 1.00 PTK6 (0.39) PTK6TTKKDM4EGAASMN1; SMN2
SCHEMBL22123059 0.93 PTK6 (0.39) PTK6TTKKDM4EGAASMN1; SMN2
SCHEMBL24112523 0.92 PTK6 (0.41) PTK6TTKKDM4EGAASMN1; SMN2
Hydrochloric Acid SCHEMBL25176396 0.92 PTK6 (0.39) PTK6TTKKDM4EGAASMN1; SMN2
SCHEMBL25450711 0.91 PTK6 (0.38) PTK6TTKKDM4EGAASMN1; SMN2
SCHEMBL30385702 0.90 BRD4 (0.40) PTK6TTKKDM4EGAASMN1; SMN2
SCHEMBL22122840 0.89 KDM4E (0.42) PTK6TTKKDM4EGAASMN1; SMN2
SCHEMBL24940112 0.89 PTK6 (0.39) PTK6TTKBRAFMAPKAPK5LCK
Formic Acid SCHEMBL25170401 0.88 PTK6 (0.36) PTK6TTKKDM4EGAASMN1; SMN2
SCHEMBL25014260 0.88 PTK6 (0.35) PTK6TTKMAPKAPK5IDO1

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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — 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-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885TTK 4573/4885KDM4E 3587/4885

“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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