SCHEMBL22940251

SCHEMBL22940251

NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@H]2C1CCN(C(=O)CCCNC(=O)COCCOCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.54
CRBN Q96SW2 4/20 0.49
HPGDS O60760 1/20 0.48
EGFR P00533 2/20 0.47
TEC P42680 2/20 0.47
ERBB2 P04626 1/20 0.47
LCK P06239 1/20 0.47
CYP3A4 P08684 1/20 0.47
FGR P09769 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TXK P42681 1/20 0.47
FRK P42685 1/20 0.47
BLK P51451 1/20 0.47
BMX P51813 1/20 0.47
JAK3 P52333 1/20 0.47
ITK Q08881 1/20 0.47
PTK6 Q13882 1/20 0.47
ERBB4 Q15303 1/20 0.47

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
SCHEMBL22940506 0.94 BTK (0.56) BTKCRBNHPGDSEGFRTEC
SCHEMBL31194784 0.93 BTK (0.50) BTKCRBNEGFRTEC
SCHEMBL22940226 0.92 BTK (0.62) BTKEGFRTECERBB2LCK
SCHEMBL22940502 0.91 BTK (0.61) BTKEGFRTECERBB2LCK
SCHEMBL22940498 0.90 BTK (0.63) BTKEGFRTECERBB2LCK
SCHEMBL22940245 0.90 BTK (0.55) BTKCRBNEGFRTECERBB2
SCHEMBL22940398 0.89 BTK (0.55) BTKCRBNHPGDSEGFRTEC
SCHEMBL22940380 0.89 BTK (0.56) BTKCRBNHPGDSEGFRTEC
SCHEMBL22940239 0.89 BTK (0.53) BTKCRBNHPGDSEGFRTEC
SCHEMBL22940241 0.89 BTK (0.56) BTKCRBNHPGDSEGFRTEC

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 84/4885HPGDS 2849/4885

“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.