SCHEMBL24670928

SCHEMBL24670928

CC1(C)CCc2c(-c3cc4ccc(C(=O)N5CCNCC5)cc4[nH]3)n[nH]c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 3/20 0.53
▸ KDR P35968 1/20 0.42
▸ PIP5K1C O60331 6/20 0.40
▸ FLT3 P36888 2/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ MET P08581 1/20 0.37
▸ GPR183 P32249 1/20 0.37
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35

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
SCHEMBL29990522 1.00 ITK (0.53) ITKKDRPIP5K1CFLT3RIPK1
Trifluoroacetic Acid SCHEMBL31055536 0.94 ITK (0.49) ITKKDRPIP5K1CFLT3RIPK1
SCHEMBL30863357 0.92 ITK (0.54) ITKPIP5K1CRIPK1MET
SCHEMBL12027720 0.91 ITK (0.53) ITKKDRPIP5K1CRIPK1MET
SCHEMBL24670789 0.91 ITK (0.50) ITKKDRPIP5K1CHRH4
SCHEMBL30066189 0.91 ITK (0.50) ITKKDRPIP5K1CHRH4
SCHEMBL30801176 0.91 ITK (0.50) ITKKDRPIP5K1CHRH4
SCHEMBL12027721 0.90 ITK (0.62) ITKKDRPIP5K1CFLT3RIPK1
Hydrochloric Acid SCHEMBL29207704 0.90 ITK (0.49) ITKKDRPIP5K1CHRH4
SCHEMBL24670722 0.90 ITK (0.51) ITKPIP5K1C

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 5 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
CN-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 — — CN disclosed
US-20230158151-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2023-05-25 — — US disclosed
US-20230158151-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2023-05-25 — — US 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 (2 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 1/4885KDR 2126/4885PIP5K1C 256/4885
US-20230158151-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE MDM2, XIAP, ADRM1 ITK 4478/4885KDR 3610/4885PIP5K1C 2722/4885

“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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