SCHEMBL29623921

SCHEMBL29623921

CC(C)(C)[Si](OCc1ccncn1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
PDE4A P27815 1/20 0.34
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
SMYD2 Q9NRG4 2/20 0.31
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31

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
SCHEMBL16319292 0.77 SMYD2 (0.32) SMYD2CYP3A4HTTSMN1; SMN2GRM5
SCHEMBL20972538 0.77 KCNH2 (0.33) SMYD2CYP3A4HTTSMN1; SMN2GRM5
SCHEMBL30825711 0.76 SYK (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8709966 0.76 SYK (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1314001 0.75 AGXT (0.42) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL1181594 0.75 ATM (0.35) GABRA5CYP3A4HTTSMN1; SMN2GRM5
SCHEMBL2598798 0.74 LTA4H (0.41) SMYD2HTTSMN1; SMN2GRM5GRM1
SCHEMBL3421369 0.74 CHRM2 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16319196 0.73 BACE1 (0.34) GABRA5SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4150467 0.73 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2

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-20250092062-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2025-03-20 US disclosed
US-20230183261-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use ABBVIE INC (US) 2023-06-15 US disclosed
EP-3988555-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2022-04-27 EP 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-20230183261-A1 Macrocyclic MCL-1 Inhibitors and Methods of Use MCL1, BCL2A1, BCL2L10 GABRA1 4629/4885GABRG2 4684/4885GABRB3 4705/4885
US-20250092062-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 GABRA1 4629/4885GABRG2 4684/4885GABRB3 4705/4885

“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.