SCHEMBL25876456

SCHEMBL25876456

COc1cc(C)c(Sc2cnc(N)s2)cc1C(=O)N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITK Q08881 12/20 0.61
TXK P42681 10/20 0.61
BTK Q06187 10/20 0.61
JAK3 P52333 10/20 0.61

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
SCHEMBL20161432 0.92 ITK (0.62) ITKTXKBTKJAK3
SCHEMBL14460569 0.91 ITK (0.70) ITKTXKBTKJAK3
SCHEMBL30291400 0.91 ITK (0.70) ITKTXKBTKJAK3
SCHEMBL14460588 0.90 ITK (0.60) ITKTXKBTKJAK3
SCHEMBL20162006 0.90 JAK3 (0.62) ITKTXKBTKJAK3
SCHEMBL20161228 0.88 TXK (0.61) ITKTXKBTKJAK3
SCHEMBL29932924 0.88 TXK (0.61) ITKTXKBTKJAK3
SCHEMBL14461105 0.87 JAK3 (0.63) ITKTXKBTKJAK3
SCHEMBL24467210 0.84 JAK3 (0.59) ITKTXKBTKJAK3
SCHEMBL20161618 0.84 JAK3 (0.61) ITKTXKBTKJAK3

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-20230226196-A1 COMPOUNDS FOR TARGETED DEGRADATION OF INTERLEUKIN-2-INDUCIBLE T-CELL KINASE AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 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-20230226196-A1 COMPOUNDS FOR TARGETED DEGRADATION OF INTERLEUKIN-2-INDUCIBLE T-CELL KINASE AND METHODS OF USE ITK, IKZF2, PBK ITK 1/4885TXK 47/4885BTK 672/4885

“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.