SCHEMBL22940241

SCHEMBL22940241

NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@H]2C1CCN(C(=O)CCCc2cn(CCOCCOCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.56
CRBN Q96SW2 10/20 0.56
HDAC6 Q9UBN7 2/20 0.53
ABL1 P00519 3/20 0.50
BCR P11274 3/20 0.50
ESR1 P03372 1/20 0.50
LYN P07948 1/20 0.48
SRC P12931 1/20 0.48
KDR P35968 1/20 0.48
HPGDS O60760 1/20 0.46
PTPN11 Q06124 1/20 0.45
EGFR P00533 2/20 0.45
TEC P42680 2/20 0.45
TXK P42681 1/20 0.45
BMX P51813 1/20 0.45
IRAK1 P51617 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45

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
SCHEMBL22940380 1.00 BTK (0.56) BTKCRBNHDAC6ABL1BCR
SCHEMBL22940938 0.99 BTK (0.56) BTKCRBNHDAC6ABL1BCR
SCHEMBL22940927 0.91 BTK (0.66) BTKCRBNHDAC6EGFRTEC
SCHEMBL22940204 0.91 BTK (0.66) BTKCRBNHDAC6EGFRTEC
SCHEMBL22940352 0.91 BTK (0.66) BTKCRBNHDAC6EGFRTEC
SCHEMBL22940928 0.91 BTK (0.66) BTKCRBNHDAC6EGFRTEC
SCHEMBL22940937 0.91 BTK (0.66) BTKCRBNHDAC6EGFRTEC
SCHEMBL22940862 0.91 BTK (0.66) BTKCRBNHDAC6EGFRTEC
SCHEMBL22940354 0.91 BTK (0.65) BTKCRBNEGFRTECTXK
SCHEMBL22940226 0.89 BTK (0.62) BTKEGFRTECTXKBMX

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281876-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2022-09-08 US disclosed
WO-2021018018-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INIDBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-02-04 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-20220281876-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, LYN BTK 1/4885CRBN 84/4885HDAC6 1132/4885

“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.