SCHEMBL30948348

SCHEMBL30948348

O=c1c(=O)n(C2CCCC2)ccn1Cc1cnc(-c2ccccc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 7/20 0.62
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
ABL1 P00519 2/20 0.34
EGFR P00533 2/20 0.34
SRC P12931 2/20 0.34
ABL2 P42684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA1 P30542 2/20 0.34
LMNA P02545 2/20 0.34
ADORA2A P29274 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CHRNA7 P36544 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL30948039 0.98 IL4I1 (0.63) IL4I1CYP11B1CYP11B2ABL1EGFR
SCHEMBL30948020 0.83 IL4I1 (0.63) IL4I1CYP11B1CYP11B2SRCALDH1A1
SCHEMBL30948047 0.83 IL4I1 (0.74) IL4I1CYP11B1CYP11B2LMNATHRB
SCHEMBL30047237 0.81 IL4I1 (0.64) IL4I1CYP11B1CYP11B2
SCHEMBL27163789 0.81 IL4I1 (0.64) IL4I1CYP11B1CYP11B2
SCHEMBL27163163 0.80 IL4I1 (0.59) IL4I1ABL1EGFRSRCABL2
SCHEMBL30947938 0.78 IL4I1 (0.60) IL4I1ABL1EGFRSRCABL2
SCHEMBL30948181 0.77 IL4I1 (0.54) IL4I1
SCHEMBL30948352 0.77 IL4I1 (0.61) IL4I1CYP11B1NPSR1
SCHEMBL27163390 0.76 IL4I1 (1.00) IL4I1CYP11B1CYP11B2LMNAHTT

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 1/4885CYP11B1 1150/4885CYP11B2 1452/4885

“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.