SCHEMBL30948084

SCHEMBL30948084

O=C1C(=O)N(C2CCC2)CCN1Cc1ccc(-c2cn[nH]c2)nn1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 8/20 0.63
SCD O00767 1/20 0.39
TP53 P04637 4/20 0.39
HRH3 Q9Y5N1 1/20 0.37
KCNH2 Q12809 1/20 0.35
ROCK2 O75116 2/20 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
SCHEMBL30947950 0.98 IL4I1 (0.66) IL4I1SCDTP53HRH3KCNH2
SCHEMBL30948314 0.84 IL4I1 (0.74) IL4I1TP53
SCHEMBL30046889 0.82 IL4I1 (0.77) IL4I1TP53
SCHEMBL27162916 0.82 IL4I1 (0.77) IL4I1TP53
SCHEMBL30947900 0.82 IL4I1 (0.79) IL4I1TP53
SCHEMBL30948191 0.82 IL4I1 (0.64) IL4I1TP53
SCHEMBL30948203 0.81 IL4I1 (0.71) IL4I1TP53KCNH2
SCHEMBL30948110 0.81 TP53 (0.47) IL4I1TP53ROCK2
SCHEMBL30947977 0.79 IL4I1 (0.96) IL4I1TP53KCNH2
SCHEMBL27163236 0.78 IL4I1 (0.65) IL4I1TP53

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 1/4885SCD 4881/4885TP53 1444/4885

“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.