SCHEMBL30948245

SCHEMBL30948245

O=C1NCCN(Cc2ccc(-c3ccccc3F)nn2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 4/20 0.63
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PLK4 O00444 1/20 0.35
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
RPS6KA4 O75676 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL27163631 0.83 IL4I1 (0.58) IL4I1ALDH1A1POLBKDM4ECYP1A2
SCHEMBL27163156 0.77 IL4I1 (0.80) IL4I1KCNH2NPY5R
SCHEMBL30948288 0.77 IL4I1 (0.96) IL4I1POLBKCNH2MEN1KMT2A
SCHEMBL27163220 0.77 IL4I1 (1.00) IL4I1POLBKCNH2MEN1KMT2A
SCHEMBL30046257 0.77 IL4I1 (1.00) IL4I1POLBKCNH2MEN1KMT2A
SCHEMBL30948018 0.77 IL4I1 (0.79) IL4I1POLBKCNH2
SCHEMBL30948343 0.77 IL4I1 (0.79) IL4I1POLBKCNH2
SCHEMBL30948120 0.76 IL4I1 (0.74) IL4I1KCNH2NPC1RAB9ANPY5R
SCHEMBL30947980 0.76 IL4I1 (0.62) IL4I1KCNH2NPC1RAB9ANPY5R
SCHEMBL30948186 0.76 IL4I1 (0.62) IL4I1KCNH2NPY5RGABRA3ADORA3

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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 IL4I1 1/4885ALDH1A1 283/4885POLB 2929/4885

“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.