SCHEMBL30349936

SCHEMBL30349936

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)NCCNCCO

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.35
▸ PTK6 Q13882 1/20 0.34
▸ TTK P33981 9/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ CDK2 P24941 2/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31

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
SCHEMBL22124843 1.00 P2RX3 (0.35) P2RX3PTK6TTKMAPKAPK5FLT3
SCHEMBL22124784 0.96 P2RX3 (0.35) P2RX3PTK6TTKMAPKAPK5FLT3
SCHEMBL22124577 0.94 MAPKAPK5 (0.34) P2RX3PTK6TTKMAPKAPK5CDK2
SCHEMBL22122966 0.94 P2RX3 (0.36) P2RX3PTK6TTKMAPKAPK5FLT3
SCHEMBL22124706 0.93 PTK6 (0.35) P2RX3PTK6TTKMAPKAPK5FLT3
Hydrochloric Acid SCHEMBL30349841 0.92 PTK6 (0.35) P2RX3PTK6TTKMAPKAPK5FLT3
SCHEMBL25445314 0.91 MAPKAPK5 (0.35) P2RX3PTK6TTKMAPKAPK5CDK2
SCHEMBL24112476 0.91 PTK6 (0.35) P2RX3PTK6TTKMAPKAPK5CDK2
SCHEMBL22122891 0.90 TTK (0.35) P2RX3PTK6TTKMAPKAPK5CDK2
SCHEMBL22122968 0.90 MAPKAPK5 (0.35) P2RX3PTK6TTKMAPKAPK5CDK2

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 P2RX3 1517/4885PTK6 2141/4885TTK 4573/4885

“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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