SCHEMBL31055473

SCHEMBL31055473

C[C@@]12Cc3[nH]nc(-c4cc5cc(F)c(C(=O)N6CCNCC6)cc5[nH]4)c3C[C@@H]1C2(F)F

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 9/20 0.42
▸ IL2 P60568 2/20 0.42
▸ PARP1 P09874 5/20 0.34
▸ PIP5K1C O60331 4/20 0.33
▸ ATR Q13535 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
SCHEMBL24671305 1.00 ITK (0.42) ITKIL2PARP1PIP5K1CATR
SCHEMBL24671303 1.00 ITK (0.42) ITKIL2PARP1PIP5K1CATR
SCHEMBL24670141 0.93 ITK (0.41) ITKIL2PARP1PIP5K1C
SCHEMBL31055554 0.87 ITK (0.42) ITKIL2PIP5K1C
SCHEMBL29990936 0.86 ITK (0.44) ITKIL2PIP5K1C
SCHEMBL30066409 0.86 KDR (0.45) ITKIL2PARP1PIP5K1C
SCHEMBL24671834 0.86 ITK (0.44) ITKIL2PIP5K1C
SCHEMBL24671193 0.86 KDR (0.45) ITKIL2PARP1PIP5K1C
SCHEMBL24671679 0.86 ITK (0.44) ITKIL2PIP5K1C
SCHEMBL24671255 0.84 ITK (0.47) ITKPARP1PIP5K1CATR

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 5/4885PARP1 1335/4885

“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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