SCHEMBL25451200

SCHEMBL25451200

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCC1CC[N+](C)(CC2CCCN2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.36
▸ IKBKB O14920 2/20 0.35
▸ TTK P33981 6/20 0.34
▸ PTK6 Q13882 1/20 0.34
▸ DRD2 P14416 2/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RET P07949 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CACNA1F O60840 1/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ SLC6A2 P23975 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
Trifluoroacetic Acid SCHEMBL30385670 0.96 PTK2 (0.34) PTK2IKBKBTTKPTK6LMNA
SCHEMBL24112510 0.91 PTK2 (0.37) PTK2TTKPTK6RETCNR2
SCHEMBL24871012 0.91 IKBKB (0.39) PTK2IKBKBTTKPTK6DRD2
Hydrochloric Acid SCHEMBL30171770 0.90 IKBKB (0.38) PTK2IKBKBTTKPTK6DRD2
SCHEMBL25173554 0.90 PTK2 (0.35) PTK2TTKPTK6RETCNR2
SCHEMBL30385676 0.90 TTK (0.37) PTK2TTKPTK6RETCYP3A4
SCHEMBL24112110 0.90 TTK (0.37) PTK2TTKPTK6RETCYP3A4
SCHEMBL30171786 0.89 PTK2 (0.36) PTK2IKBKBTTKPTK6RET
SCHEMBL24870833 0.89 PTK2 (0.36) PTK2IKBKBTTKPTK6RET
Iodide SCHEMBL25170443 0.89 TTK (0.37) PTK2TTKPTK6RETCYP3A4

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-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — 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-20230141600-A1 IMIDAZOPYRAZINE DERIVATIVES IKZF3, RRP15, IK PTK2 3799/4885IKBKB 1200/4885TTK 4336/4885

“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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