SCHEMBL30177664

SCHEMBL30177664

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 0.43
▸ TP53 P04637 1/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ TGFBR2 P37173 1/20 0.39
▸ PTK6 Q13882 2/20 0.39
▸ MAPK14 Q16539 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ACKR3 P25106 1/20 0.37
▸ LCK P06239 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
SCHEMBL22123833 0.89 PTK6 (0.47) TTKPTK6LCK
SCHEMBL22122960 0.88 PTK6 (0.47) TTKPTK6LCK
SCHEMBL22124915 0.88 CNR2 (0.46) TTKMAPK14LMNA
SCHEMBL25167082 0.86 TTK (0.44) TTKPTK6
SCHEMBL30385536 0.86 TTK (0.44) TTKPTK6
SCHEMBL30385611 0.85 TTK (0.43) TTKPTK6
SCHEMBL22123095 0.85 TTK (0.45) TTKPTK6
SCHEMBL24870939 0.84 TTK (0.46) TTKPTK6
SCHEMBL22124585 0.84 PTK6 (0.45) TTKPTK6LCK
SCHEMBL30172083 0.84 TTK (0.46) TTKPTK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP 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 (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-20230011869-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 TTK 4546/4885TP53 2040/4885TGFBR1 685/4885

“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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