SCHEMBL20745658

SCHEMBL20745658

COCC1(F)CN(c2nccc(CO)n2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.34
▸ AOC3 Q16853 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ SORD Q00796 3/20 0.32
▸ MAP3K12 Q12852 1/20 0.32
▸ CYP2D6 P10635 3/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ RXRA P19793 6/20 0.31
▸ GRIN1 Q05586 6/20 0.31
▸ GRIN2B Q13224 6/20 0.31
▸ CRBN Q96SW2 1/20 0.30

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
SCHEMBL20745669 0.85 NR1H2 (0.35) NR1H2AOC3DYRK1ASORDCYP2D6
SCHEMBL20745830 0.82 AOC3 (0.34) AOC3DYRK1AACACB
SCHEMBL22320566 0.82 ACACB (0.41) NR1H2DYRK1AEGFRACACBSORD
SCHEMBL20745806 0.77 SCN9A (0.34) NR1H2AOC3EGFRSORDCYP2D6
SCHEMBL20745044 0.77 NR1H2 (0.36) NR1H2DYRK1AACACBSORDCYP2D6
SCHEMBL20745099 0.75 EGFR (0.37) NR1H2AOC3EGFRACACBSORD
SCHEMBL24921025 0.75 RXRA (0.39) AOC3DYRK1AACACBRXRAGRIN1
SCHEMBL20746494 0.73 TRPV3 (0.42) NR1H2AOC3ACACBSORDRXRA
SCHEMBL20745928 0.73 NR1H2 (0.39) NR1H2AOC3EGFRSORD
SCHEMBL20745052 0.72 DYRK1A (0.48) NR1H2DYRK1ASORDMAP3K12CYP2D6

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 NR1H2 3570/4885AOC3 3230/4885DYRK1A 2597/4885

“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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