SCHEMBL30066409

SCHEMBL30066409

C[C@@]12Cc3[nH]nc(-c4cc5cc(C(=O)N6CCNCC6)ccc5[nH]4)c3C[C@@H]1C2(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.45
▸ ITK Q08881 3/20 0.44
▸ IL2 P60568 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ PIP5K1C O60331 6/20 0.37
▸ RIPK1 Q13546 1/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PARP1 P09874 1/20 0.34

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
SCHEMBL24671193 1.00 KDR (0.45) KDRITKIL2TLR9TLR8
SCHEMBL24671679 0.93 ITK (0.44) KDRITKIL2TLR9TLR8
SCHEMBL29990936 0.93 ITK (0.44) KDRITKIL2TLR9TLR8
SCHEMBL24671834 0.93 ITK (0.44) KDRITKIL2TLR9TLR8
SCHEMBL24671350 0.93 KDR (0.46) KDRITKIL2PIP5K1CRIPK1
SCHEMBL31055513 0.89 ITK (0.41) KDRITKIL2PIP5K1CMGLL
SCHEMBL24671197 0.89 ITK (0.41) KDRITKIL2PIP5K1CMGLL
SCHEMBL30066419 0.87 ITK (0.44) ITKIL2PIP5K1C
SCHEMBL24671801 0.87 ITK (0.44) ITKIL2PIP5K1C
SCHEMBL24669867 0.86 ITK (0.42) KDRITKIL2PIP5K1CHRH4

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 KDR 2126/4885ITK 1/4885IL2 5/4885

“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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