SCHEMBL19972700

SCHEMBL19972700

C1=C(c2c[nH]c3cnccc23)CCC2(C1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
DYRK1A Q13627 11/20 0.46
NFATC1 O95644 6/20 0.46
GSK3B P49841 5/20 0.46
PDPK1 O15530 1/20 0.41
TGFBR1 P36897 1/20 0.41
IKBKE Q14164 1/20 0.41
CDK2 P24941 3/20 0.40
DYRK1B Q9Y463 3/20 0.40
IGF1R P08069 2/20 0.40
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6634925 0.82 DRD2 (0.51) HTR2AGSK3BCDK2KDM4EALDH1A1
SCHEMBL12367428 0.78 SLC6A4 (0.43) HTR2AKDM4EMAPTALOX15HSD17B10
SCHEMBL6637690 0.78 TDO2 (0.48)
SCHEMBL15178515 0.78 TDO2 (0.34) IKBKETBK1KDM4EALDH1A1MAPT
SCHEMBL760604 0.77 HTR2A (0.67) HTR2ADYRK1ANFATC1GSK3BPDPK1
SCHEMBL3227382 0.76 FLT3 (0.36) GSK3BKDRFLT3TBK1KDM4E
SCHEMBL6636906 0.76 SLC6A4 (0.52) HTR2ADRD2
SCHEMBL6638237 0.76 SLC6A4 (0.52) HTR2AGSK3BPDPK1IGF1RKDR
SCHEMBL6636321 0.76 SLC6A4 (0.52) HTR2AKDM4EALDH1A1MAPTDRD2
SCHEMBL629140 0.76 TBK1 (0.35) IKBKETBK1ALDH1A1HSD17B10

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 17 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
US-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 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-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
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-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
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
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 HTR2A 4696/4885DYRK1A 2586/4885NFATC1 1608/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 HTR2A 4696/4885DYRK1A 2586/4885NFATC1 1608/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 HTR2A 4696/4885DYRK1A 2586/4885NFATC1 1608/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 HTR2A 4696/4885DYRK1A 2586/4885NFATC1 1608/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 HTR2A 4696/4885DYRK1A 2586/4885NFATC1 1608/4885

“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.