SCHEMBL24870932

SCHEMBL24870932

CCc1cc(Nc2nccn3c(-c4ccc(Oc5ccccn5)c(F)c4F)cnc23)ccc1C(=O)NCCCCCC(=O)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.41
▸ AURKB Q96GD4 6/20 0.35
▸ LCK P06239 5/20 0.35
▸ BCL9 O00512 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ TTK P33981 2/20 0.32
▸ QPCT Q16769 1/20 0.31
▸ MAPKAPK5 Q8IW41 1/20 0.31
▸ SCN7A Q01118 1/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL30171682 0.93 PTK6 (0.36) PTK6AURKBLCKBCL9CTNNB1
SCHEMBL22123678 0.93 PTK6 (0.36) PTK6AURKBLCKBCL9CTNNB1
SCHEMBL30171919 0.92 PTK6 (0.36) PTK6AURKBLCKBCL9CTNNB1
SCHEMBL22122915 0.92 PTK6 (0.36) PTK6AURKBLCKBCL9CTNNB1
SCHEMBL24870782 0.91 PTK6 (0.43) PTK6AURKBLCKBCL9CTNNB1
SCHEMBL22122829 0.91 PTK6 (0.36) PTK6AURKBLCKBCL9CTNNB1
SCHEMBL30171718 0.91 PTK6 (0.36) PTK6AURKBLCKBCL9CTNNB1
SCHEMBL22139163 0.91 PTK6 (0.44) PTK6AURKBLCKBCL9CTNNB1
SCHEMBL22142817 0.89 PTK6 (0.44) PTK6AURKBLCKBCL9CTNNB1
SCHEMBL22123474 0.88 PTK6 (0.38) PTK6AURKBLCKTTKMAPKAPK5

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 2211/4885AURKB 3359/4885LCK 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.

Send feedback