SCHEMBL19972692

SCHEMBL19972692

O=C(O)c1cc(F)ccc1-n1cc(C2CCC3(CC2)OCCO3)c2ccncc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 14/20 0.41
KDM5A P29375 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
ALDH1A1 P00352 2/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
NPC1 O15118 1/20 0.34
HRH2 P25021 2/20 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
SCHEMBL19972503 0.87 C5AR1 (0.33) KDM4CKDM5AKDM5BALDH1A1NPC1
SCHEMBL19972680 0.80 OPRM1 (0.38) HRH2
SCHEMBL29985807 0.78 SMN1; SMN2 (0.55) ALDH1A1
SCHEMBL19972610 0.78 SMN1; SMN2 (0.55) ALDH1A1
SCHEMBL19980699 0.74 NPC1 (0.34) ALDH1A1IKBKETBK1NPC1
SCHEMBL19972684 0.74 KDM4C (0.40) KDM4CKDM5AKDM5BALDH1A1
SCHEMBL19972571 0.74 PTGDR2 (0.32) KDM4CKDM5AKDM5B
SCHEMBL26036581 0.74 RORC (0.34) KDM4CKDM5AKDM5B
SCHEMBL30266001 0.73 DRD2 (0.34) KDM4CKDM5AKDM5B
SCHEMBL19972468 0.73 DRD2 (0.34) KDM4CKDM5AKDM5B

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 KDM4C 397/4885KDM5A 249/4885KDM5B 185/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 KDM4C 397/4885KDM5A 249/4885KDM5B 185/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 KDM4C 397/4885KDM5A 249/4885KDM5B 185/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 KDM4C 397/4885KDM5A 249/4885KDM5B 185/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 KDM4C 397/4885KDM5A 249/4885KDM5B 185/4885

“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.