SCHEMBL30187306

SCHEMBL30187306

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)C5CCNCC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 6/20 0.45
▸ TTK P33981 8/20 0.45
▸ MAPKAPK5 Q8IW41 1/20 0.43
▸ AURKB Q96GD4 5/20 0.42
▸ SYK P43405 2/20 0.39
▸ LCK P06239 2/20 0.38
▸ AURKA O14965 2/20 0.37
▸ PTK2 Q05397 1/20 0.37

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
SCHEMBL22142748 1.00 PTK6 (0.45) PTK6TTKMAPKAPK5AURKBSYK
SCHEMBL30187381 0.92 PTK6 (0.44) PTK6TTKMAPKAPK5AURKBLCK
SCHEMBL22123827 0.92 PTK6 (0.44) PTK6TTKMAPKAPK5AURKBLCK
SCHEMBL22123761 0.92 PTK6 (0.53) PTK6TTKMAPKAPK5AURKBLCK
SCHEMBL30187447 0.92 PTK6 (0.53) PTK6TTKMAPKAPK5AURKBLCK
SCHEMBL24870951 0.90 TTK (0.45) PTK6TTKMAPKAPK5AURKBSYK
SCHEMBL30171585 0.90 TTK (0.45) PTK6TTKMAPKAPK5AURKBSYK
SCHEMBL22123728 0.89 PTK6 (0.43) PTK6TTKMAPKAPK5AURKBSYK
SCHEMBL30187378 0.89 PTK6 (0.43) PTK6TTKMAPKAPK5AURKBSYK
SCHEMBL22123675 0.89 TTK (0.46) PTK6TTKMAPKAPK5AURKBSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 — — US disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP 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-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X PTK6 1818/4885TTK 4519/4885MAPKAPK5 516/4885

“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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