SCHEMBL30948174

SCHEMBL30948174

O=C1C(=O)N(C23CC(F)(C2)C3)CCN1Cc1ccc(-n2nccn2)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.37
CHRM1 P11229 2/20 0.35
ADORA1 P30542 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
IL4I1 Q96RQ9 1/20 0.33
PRMT5 O14744 1/20 0.32
KCNH2 Q12809 2/20 0.31
MAPK3 P27361 2/20 0.31
MAPK1 P28482 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DYRK1A Q13627 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL30948262 0.86 USP1 (0.40) GRM2CHRM1ADORA1TLR7HCRTR1
SCHEMBL30947960 0.85 IL4I1 (0.47) GRM2CHRM1ADORA1TLR7IL4I1
SCHEMBL30947905 0.84 CHRM1 (0.49) GRM2CHRM1IL4I1HCRTR1HCRTR2
SCHEMBL30948347 0.78 IL4I1 (0.39) IL4I1PRMT5DYRK1A
SCHEMBL30948086 0.75 IL4I1 (0.34) CHRM1ADORA1TLR7IL4I1
SCHEMBL30948316 0.73 TP53 (0.47) IL4I1
SCHEMBL30948108 0.71 IL4I1 (0.41) IL4I1HCRTR2SMN1; SMN2
SCHEMBL30947967 0.70 CHRM1 (0.50) GRM2CHRM1IL4I1PRMT5HCRTR1
SCHEMBL30948128 0.68 IL4I1 (0.50) GRM2CHRM1IL4I1KCNH2HCRTR1
SCHEMBL30948147 0.68 IL4I1 (0.50) IL4I1

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 GRM2 4617/4885CHRM1 3382/4885ADORA1 3846/4885

“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.