SCHEMBL20745044

SCHEMBL20745044

OCc1ccnc(N2CC3(C2)CC(F)(F)C3)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.36
▸ DYRK1A Q13627 2/20 0.34
▸ SORD Q00796 7/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ KIF18A Q8NI77 2/20 0.32
▸ RXRA P19793 3/20 0.32
▸ GRIN1 Q05586 3/20 0.32
▸ GRIN2B Q13224 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ROCK2 O75116 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
SCHEMBL22320566 0.88 ACACB (0.41) NR1H2DYRK1ASORDACACBKIF18A
SCHEMBL20745052 0.81 DYRK1A (0.48) NR1H2DYRK1ASORDALDH1A1HPGD
SCHEMBL20746494 0.79 TRPV3 (0.42) NR1H2SORDACACBKIF18ARXRA
SCHEMBL20745176 0.78 ALDH1A1 (0.35) NR1H2DYRK1AACACBALDH1A1HPGD
SCHEMBL20745960 0.78 ACACB (0.41) NR1H2SORDACACBALDH1A1HSD17B10
SCHEMBL20745658 0.77 NR1H2 (0.34) NR1H2DYRK1ASORDACACBHSD17B10
SCHEMBL20745099 0.76 EGFR (0.37) NR1H2SORDACACBALDH1A1HPGD
SCHEMBL20745096 0.75 NR1H2 (0.39) NR1H2SORDRXRAGRIN1GRIN2B
SCHEMBL20745270 0.73 NR1H2 (0.39) NR1H2DYRK1ASORD
SCHEMBL20745669 0.72 NR1H2 (0.35) NR1H2DYRK1ASORDHSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2025-10-09 — — US disclosed
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2024-07-11 — — US disclosed
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2023-12-14 — — US disclosed
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-07-30 — — US disclosed
EP-3668502-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 — — EP disclosed
WO-2019035927-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 (4 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-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 NR1H2 3568/4885DYRK1A 2584/4885SORD 4658/4885
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 NR1H2 3568/4885DYRK1A 2584/4885SORD 4658/4885
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 NR1H2 3568/4885DYRK1A 2584/4885SORD 4658/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 NR1H2 3568/4885DYRK1A 2584/4885SORD 4658/4885

“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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