SCHEMBL30948352

SCHEMBL30948352

O=c1c(=O)n(C2CCC2)ccn1Cc1cnc(-c2ccccc2)nc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 5/20 0.61
CYP11B1 P15538 1/20 0.45
HPGDS O60760 7/20 0.39
HSD17B13 Q7Z5P4 1/20 0.37
PDE1C Q14123 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DHPS P49366 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL30947938 0.82 IL4I1 (0.60) IL4I1PDE1CNPSR1PDE4APDE4B
SCHEMBL27163163 0.80 IL4I1 (0.59) IL4I1KDM4ENPSR1PDE4APDE4B
SCHEMBL30948039 0.79 IL4I1 (0.63) IL4I1CYP11B1PDE1C
SCHEMBL30948301 0.78 IL4I1 (0.63) IL4I1CYP11B1PDE1CMAPT
SCHEMBL30947964 0.78 IL4I1 (0.54) IL4I1MEN1KMT2A
SCHEMBL30948348 0.77 IL4I1 (0.62) IL4I1CYP11B1NPSR1
SCHEMBL27163598 0.77 IL4I1 (0.75) IL4I1HSD17B13KDM4E
SCHEMBL30947951 0.76 IL4I1 (1.00) IL4I1CYP11B1
SCHEMBL30047237 0.75 IL4I1 (0.64) IL4I1CYP11B1MEN1KMT2A
SCHEMBL30948103 0.75 IL4I1 (0.50) IL4I1CYP11B1HPGDSHSD17B13PDE1C

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 1150/4885HPGDS 2379/4885

“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.