SCHEMBL31055554

SCHEMBL31055554

C[C@@]12Cc3[nH]nc(-c4cc5cc(F)c(C(=O)O)cc5[nH]4)c3C[C@@H]1C2(F)F

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 16/20 0.42
▸ IL2 P60568 4/20 0.42
▸ PIP5K1C O60331 4/20 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
SCHEMBL24671305 0.87 ITK (0.42) ITKIL2PIP5K1C
SCHEMBL24671303 0.87 ITK (0.42) ITKIL2PIP5K1C
SCHEMBL31055473 0.87 ITK (0.42) ITKIL2PIP5K1C
SCHEMBL24670141 0.86 ITK (0.41) ITKIL2PIP5K1C
SCHEMBL30066419 0.84 ITK (0.44) ITKIL2PIP5K1C
SCHEMBL30066399 0.84 ITK (0.48) ITKIL2PIP5K1C
SCHEMBL24671801 0.84 ITK (0.44) ITKIL2PIP5K1C
SCHEMBL29207791 0.81 ITK (0.47) ITKPIP5K1C
SCHEMBL30066260 0.78 ITK (0.43) ITKIL2PIP5K1C
SCHEMBL24670748 0.77 ITK (0.31) ITKIL2

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-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2024-08-22 — — 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-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE ITK, NFATC1, TNIK ITK 1/4885IL2 5/4885PIP5K1C 256/4885

“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.

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