SCHEMBL30066232

SCHEMBL30066232

C[C@@H]1CN(C(=O)c2ccc3cc(-c4n[nH]c5c4C[C@@H]4C(F)(F)[C@]4(C)C5)[nH]c3c2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 8/20 0.42
▸ IL2 P60568 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ PIP5K1C O60331 7/20 0.34
▸ KDR P35968 1/20 0.34
▸ PAK4 O96013 2/20 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
SCHEMBL24669867 1.00 ITK (0.42) ITKIL2HRH4PIP5K1CKDR
SCHEMBL30066326 1.00 ITK (0.42) ITKIL2HRH4PIP5K1CKDR
SCHEMBL29990936 0.93 ITK (0.44) ITKIL2PIP5K1CKDR
SCHEMBL24671834 0.93 ITK (0.44) ITKIL2PIP5K1CKDR
SCHEMBL24671679 0.93 ITK (0.44) ITKIL2PIP5K1CKDR
SCHEMBL24671438 0.87 ITK (0.43) ITKIL2HRH4PIP5K1CKDR
SCHEMBL24671193 0.86 KDR (0.45) ITKIL2HRH4PIP5K1CKDR
SCHEMBL30066409 0.86 KDR (0.45) ITKIL2HRH4PIP5K1CKDR
SCHEMBL24671682 0.86 ITK (0.41) ITKIL2PIP5K1C
SCHEMBL24671681 0.86 ITK (0.41) ITKIL2PIP5K1C

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 3 patents. 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
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 — — EP disclosed
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 — — WO 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 5/4885HRH4 3496/4885

“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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