SCHEMBL30171940

SCHEMBL30171940

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCN5CCNCC5)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 13/20 0.51
▸ HTR4 Q13639 1/20 0.44
▸ LCK P06239 4/20 0.41
▸ AURKB Q96GD4 3/20 0.41
▸ EGFR P00533 5/20 0.39
▸ ERBB2 P04626 2/20 0.39
▸ BCL6 P41182 1/20 0.39

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
SCHEMBL22122928 1.00 PTK6 (0.51) PTK6HTR4LCKAURKBEGFR
SCHEMBL30183416 0.96 PTK6 (0.50) PTK6HTR4LCKAURKBEGFR
SCHEMBL22123217 0.94 PTK6 (0.48) PTK6HTR4LCKAURKBEGFR
SCHEMBL22123977 0.93 PTK6 (0.44) PTK6HTR4AURKBEGFRERBB2
SCHEMBL30171824 0.93 PTK6 (0.44) PTK6HTR4AURKBEGFRERBB2
SCHEMBL30171622 0.92 PTK6 (0.43) PTK6HTR4LCKAURKBEGFR
SCHEMBL22123078 0.92 PTK6 (0.43) PTK6HTR4LCKAURKBEGFR
Hydrochloric Acid SCHEMBL30171690 0.92 PTK6 (0.43) PTK6HTR4AURKBEGFRERBB2
SCHEMBL22123327 0.90 PTK6 (0.47) PTK6HTR4LCKAURKBEGFR
SCHEMBL22123965 0.90 PTK6 (0.55) PTK6HTR4LCKAURKBEGFR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 — — US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 — — US disclosed
US-20230011869-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 (5 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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885HTR4 3838/4885LCK 2427/4885
US-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2201/4885HTR4 3838/4885LCK 2427/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 PTK6 2141/4885HTR4 3781/4885LCK 2521/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X PTK6 1818/4885HTR4 804/4885LCK 2006/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 PTK6 2211/4885HTR4 3666/4885LCK 2521/4885

“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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