SCHEMBL30948108

SCHEMBL30948108

O=C1C(=O)N(C23CC(F)(C2)C3)CCN1Cc1cn(-c2ccccn2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 1/20 0.41
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CRBN Q96SW2 2/20 0.35
DDB1 Q16531 1/20 0.35
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
TRPV1 Q8NER1 3/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
HCRTR2 O43614 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM4 Q14833 1/20 0.31
WDR5 P61964 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
SCHEMBL30948088 0.78 IL4I1 (0.40) IL4I1CA12CA9CRBNDDB1
SCHEMBL30948260 0.77 IL4I1 (0.46) IL4I1CRBNDDB1GRIN1GRIN2B
SCHEMBL30948321 0.77 IL4I1 (0.38) IL4I1CA12CA1CA2CA9
SCHEMBL30948389 0.74 IL4I1 (0.43) IL4I1
SCHEMBL30948194 0.73 CA12 (0.47) IL4I1CA12CA9HCRTR2SMN1; SMN2
SCHEMBL30948262 0.73 USP1 (0.40) HCRTR2
SCHEMBL30947905 0.73 CHRM1 (0.49) IL4I1HCRTR2
SCHEMBL27163027 0.72 IL4I1 (0.63) IL4I1CRBNDDB1DRD2DRD4
SCHEMBL30948347 0.71 IL4I1 (0.39) IL4I1CRBNDDB1
SCHEMBL30948174 0.71 GRM2 (0.37) IL4I1HCRTR2SMN1; SMN2

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 1/4885CA12 4111/4885CA1 3439/4885

“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.