SCHEMBL20745258

SCHEMBL20745258

CCOC(=O)c1ccnc(C2COC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 3/20 0.41
PIK3CA P42336 1/20 0.41
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP8 Q14790 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NUDT1 P36639 1/20 0.36
GAA P10253 1/20 0.36
GABRA2 P47869 3/20 0.36
GABRB2 P47870 3/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36

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
SCHEMBL1118328 0.87 CYP1A2 (0.53) CYP1A2KDM4EALDH1A1HPGDMAPT
SCHEMBL28059207 0.84 CYP1A2 (0.49) CYP1A2KDM4EALDH1A1HPGDMAPT
SCHEMBL489624 0.76 CYP1A2 (0.61) CYP1A2KDM4EALDH1A1HPGDMAPT
SCHEMBL27888086 0.74 CYP1A2 (0.57) CYP1A2KDM4EALDH1A1HPGDMAPT
SCHEMBL164477 0.73 CYP1A2 (0.61) CYP1A2KDM4EALDH1A1HPGDMAPT
SCHEMBL20745956 0.73 CYP1A2 (0.49) CYP1A2KDM4EALDH1A1HPGDMAPT
SCHEMBL16094327 0.73 PIK3CA (0.55) KDM4EPIK3CANPC1RAB9AHSD17B10
SCHEMBL2684912 0.72 CYP1A2 (0.59) CYP1A2KDM4EALDH1A1HPGDMAPT
SCHEMBL28073188 0.72 CYP1A2 (0.59) CYP1A2KDM4EALDH1A1HPGDMAPT
SCHEMBL8883554 0.72 CYP1A2 (0.59) CYP1A2KDM4EALDH1A1HPGDMAPT

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 9 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-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 CN disclosed
CN-111818916-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2020-10-23 CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 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 (5 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 CYP1A2 2446/4885KDM4E 1725/4885ALDH1A1 641/4885
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 CYP1A2 2446/4885KDM4E 1725/4885ALDH1A1 641/4885
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 CYP1A2 2446/4885KDM4E 1725/4885ALDH1A1 641/4885
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 CYP1A2 2467/4885KDM4E 1735/4885ALDH1A1 647/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 CYP1A2 2446/4885KDM4E 1725/4885ALDH1A1 641/4885

“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.