SCHEMBL20745974

SCHEMBL20745974

OCc1ccnc(-c2ccc(CN3CCOCCOCCOCCOCC3)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
LRRK2 Q5S007 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
CDK9 P50750 1/20 0.46
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
JAK2 O60674 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL22262619 0.99 HRH3 (0.56) HRH3LRRK2MEN1USP2TSHR
SCHEMBL22262379 0.86 KDM4E (0.47) HRH3CDK1ALDH1A1HPGDPIK3CD
SCHEMBL20745049 0.84 PIK3CA (0.49) LRRK2ALDH1A1HPGDPIK3CDPIK3CA
SCHEMBL22262572 0.82 KMT2A (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL28475576 0.81 TLR9 (0.50) USP2TSHRNPC1PIK3CDPIK3CA
SCHEMBL29979627 0.81 TLR9 (0.50) USP2TSHRNPC1PIK3CDPIK3CA
SCHEMBL20745905 0.79 NPC1 (0.56) HRH3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6670709 0.77 HRH3 (0.49) HRH3MEN1USP2TSHRKMT2A
SCHEMBL6637831 0.76 NCF1 (0.49) HRH3LRRK2TSHRALDH1A1NPC1
SCHEMBL20746180 0.75 POLB (0.52) MEN1USP2KMT2AALDH1A1HPGD

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 7 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
CN-111818916-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2020-10-23 CN 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 HRH3 3638/4885LRRK2 845/4885MEN1 154/4885
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 HRH3 3638/4885LRRK2 845/4885MEN1 154/4885
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 HRH3 3638/4885LRRK2 845/4885MEN1 154/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 HRH3 3638/4885LRRK2 845/4885MEN1 154/4885

“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.