SCHEMBL27329692

SCHEMBL27329692

C=CCCC1(C#N)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1H2 P55055 2/20 0.34
JAK1 P23458 4/20 0.33
JAK2 O60674 3/20 0.33
GPR119 Q8TDV5 1/20 0.33
EPHX1 P07099 1/20 0.32
TGM2 P21980 1/20 0.32
EPHX2 P34913 1/20 0.31
HPGD P15428 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
SCHEMBL27330332 0.86 CTSK (0.39) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL2378378 0.80 CTSK (0.43) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL2328812 0.80 CTSK (0.43) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL15577456 0.80 CTSK (0.38) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL15577439 0.80 CTSK (0.38) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL16415241 0.79 CTSK (0.39) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL25305211 0.79 CTSK (0.42) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL1707010 0.79 CTSK (0.42) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL27329695 0.78 USP2 (0.36) MEN1KMT2AUSP2SMN1; SMN2NR1H2
SCHEMBL26685881 0.77 MEN1 (0.38) CTSKMEN1ALDH1A1MAPTKMT2A

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-20250206761-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-06-26 US disclosed
EP-4532503-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-04-09 EP disclosed
CN-119301132-A Halogenated indole macrocyclic compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2025-01-10 CN disclosed
WO-2023232776-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2023-12-07 WO disclosed
WO-2023232776-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2023-12-07 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-20250206761-A1 HALOINDOLE MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2, HRAS CTSK 1970/4885MEN1 250/4885ALDH1A1 351/4885

“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.