SCHEMBL19972565

SCHEMBL19972565

c1cc2c(C3CCC4(CC3)OCCO4)c[nH]c2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
DYRK1A Q13627 6/20 0.39
GSK3B P49841 3/20 0.39
NFATC1 O95644 3/20 0.39
SLC2A1 P11166 1/20 0.39
PDPK1 O15530 1/20 0.38
TGFBR1 P36897 1/20 0.38
IKBKE Q14164 1/20 0.38
HTR2C P28335 2/20 0.38
ADRB2 P07550 1/20 0.38
CDK2 P24941 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
IGF1R P08069 1/20 0.36
HTR2A P28223 1/20 0.35
CCR2 P41597 1/20 0.35
KDM4E B2RXH2 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CREBBP Q92793 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
SCHEMBL2467357 0.82 HSD11B1 (0.44) HSD11B1DYRK1AGSK3BNFATC1SLC2A1
SCHEMBL6635816 0.81 HTR2C (0.59) HTR2CADRB2HTR2AKDM4EBRD4
SCHEMBL12315639 0.79 HSD11B1 (0.48) HSD11B1DYRK1AGSK3BNFATC1SLC2A1
SCHEMBL13021101 0.77 HTR2C (0.62) HSD11B1DYRK1AGSK3BNFATC1PDPK1
SCHEMBL6636085 0.76 SLC6A4 (0.53) HTR2AHTR1AHTR1DAPP
SCHEMBL23536547 0.74 PDE10A (0.37) HTR2CADRB2CCR2KDM4EALDH1A1
SCHEMBL6636225 0.74 SLC6A4 (0.52) HSD11B1HTR2CHTR2AHTR1A
SCHEMBL6637981 0.74 SLC6A4 (0.52) HTR2CADRB2HTR2AALDH1A1HTR1A
SCHEMBL6636989 0.74 SLC6A4 (0.52) KDM4EALDH1A1HTR1AHTR1DHTR1F
SCHEMBL26912168 0.73 CYP2D6 (0.46) HSD11B1SLC2A1CDK2DYRK1BIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118359610-A MENIN-MLL interaction inhibitors 生命医药有限责任公司 2024-07-19 CN disclosed
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2024-04-18 US disclosed
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 US disclosed
EP-4230627-A2 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2023-08-23 EP disclosed
EP-3512850-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2023-04-12 EP disclosed
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2021-06-17 US disclosed
US-10899758-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2021-01-26 US disclosed
EP-3512850-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, Inc. (US) 2019-07-24 EP disclosed
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. 2019-07-04 US disclosed
WO-2018053267-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2018-03-22 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-11739085-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 HSD11B1 3031/4885DYRK1A 2586/4885GSK3B 1590/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 HSD11B1 3031/4885DYRK1A 2586/4885GSK3B 1590/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 HSD11B1 3031/4885DYRK1A 2586/4885GSK3B 1590/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 HSD11B1 3031/4885DYRK1A 2586/4885GSK3B 1590/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 HSD11B1 3031/4885DYRK1A 2586/4885GSK3B 1590/4885

“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.