SCHEMBL20745663

SCHEMBL20745663

CC1(O)CCN(c2nccc(CO)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 9/20 0.41
▸ NR1H2 P55055 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AOC3 Q16853 1/20 0.35
▸ PANK3 Q9H999 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PTPN11 Q06124 3/20 0.35
▸ DYRK1A Q13627 1/20 0.34

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
SCHEMBL20746494 0.85 TRPV3 (0.42) SORDNR1H2AOC3PANK3
SCHEMBL22320365 0.84 EGFR (0.42) SORDNR1H2MEN1KMT2AAOC3
SCHEMBL22262720 0.83 ACHE (0.39) SORDPIK3CAMTOR
SCHEMBL22320681 0.82 ACHE (0.38) SORDMEN1KMT2AAOC3PANK3
SCHEMBL16815333 0.81 ACHE (0.50) SORD
SCHEMBL28059125 0.81 ACHE (0.46) SORDMEN1KMT2ADYRK1A
SCHEMBL20746025 0.80 DYRK1A (0.41) SORDDYRK1A
SCHEMBL15345159 0.80 SORD (0.52) SORDKMT2A
SCHEMBL16815392 0.80 PIK3CA (0.51) SORDPIK3CAMTOR
SCHEMBL28465327 0.79 SORD (0.41) SORDNR1H2AOC3PANK3PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 — — CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 — — US disclosed
EP-3668504-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 — — EP disclosed
WO-2019035914-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 — — 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SORD 4665/4885NR1H2 3570/4885MEN1 152/4885

“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.

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