SCHEMBL30948321

SCHEMBL30948321

O=c1c(=O)n(C23CC(F)(C2)C3)ccn1Cc1cn(-c2ccccn2)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 1/20 0.38
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TYR P14679 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
KCNH2 Q12809 7/20 0.32
MTOR P42345 2/20 0.31
DRD2 P14416 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
SCHEMBL27163429 0.86 IL4I1 (0.49) IL4I1TYRHDAC8HDAC3HDAC4
SCHEMBL30948171 0.83 MTOR (0.35) IL4I1TYRHDAC8HDAC3HDAC4
SCHEMBL30948038 0.83 HSP90AA1 (0.36) IL4I1TYRHDAC8HDAC3HDAC4
SCHEMBL30948351 0.80 HSP90AA1 (0.35) IL4I1TYRHDAC8HDAC3HDAC4
SCHEMBL30948271 0.79 RAB9A (0.38) IL4I1HDAC8HDAC3HDAC4HDAC1
SCHEMBL30948054 0.78 IL4I1 (0.52) IL4I1CA12CA9
SCHEMBL30948202 0.77 IL4I1 (0.40) IL4I1HDAC8HDAC3HDAC4HDAC1
SCHEMBL30948108 0.77 IL4I1 (0.41) IL4I1CA12CA1CA2CA9
SCHEMBL30948138 0.74 IL4I1 (0.35) IL4I1
SCHEMBL30948297 0.73 CA12 (0.45) IL4I1CA12CA9SMN1; 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.