SCHEMBL30349894

SCHEMBL30349894

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 4/20 0.38
▸ TTK P33981 5/20 0.33
▸ BRAF P15056 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ LCK P06239 2/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ FLT3 P36888 1/20 0.31
▸ ACVR1B P36896 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ BRDT Q58F21 1/20 0.30
▸ BUB1 O43683 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30
▸ NTRK1 P04629 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
SCHEMBL22124683 1.00 PTK6 (0.38) PTK6TTKBRAFP2RX3LCK
SCHEMBL22124783 0.92 PTK6 (0.39) PTK6TTKBRAFLCKAURKB
Hydrochloric Acid SCHEMBL30171525 0.91 PTK6 (0.39) PTK6TTKBRAFLCKAURKB
SCHEMBL24112523 0.89 PTK6 (0.41) PTK6TTKBRAFLCKAURKB
SCHEMBL22124739 0.86 TTK (0.40) PTK6TTKBRAFLCKMAPKAPK5
SCHEMBL30349820 0.86 PTK6 (0.39) PTK6TTKBRAFLCKAURKB
SCHEMBL22123059 0.86 PTK6 (0.39) PTK6TTKBRAFLCKAURKB
SCHEMBL22125051 0.86 PTK6 (0.39) PTK6TTKBRAFLCKAURKB
SCHEMBL30349921 0.86 TTK (0.40) PTK6TTKBRAFLCKMAPKAPK5
SCHEMBL22124706 0.85 PTK6 (0.35) PTK6TTKP2RX3MAPKAPK5FLT3

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 4573/4885BRAF 955/4885

“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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