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Sugi Predict / Compounds / SCHEMBL19980701

SCHEMBL19980701

SCHEMBL19980701

CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCC(N(C)C[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)CC2)c2ccncc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 5/20 0.34
▸ KDM1A O60341 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ JAK2 O60674 4/20 0.32
▸ JAK1 P23458 4/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ KAT8 Q9H7Z6 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30
▸ RORC P51449 1/20 0.30

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
SCHEMBL30266004 1.00 NPY5R (0.34) NPY5RKDM1AGPR119JAK2JAK1
SCHEMBL19972679 0.91 KDM4C (0.33) NPY5RIDO1KDM4C
SCHEMBL30265699 0.90 DRD2 (0.39) NPY5RJAK2JAK1DRD2PLK1
SCHEMBL21141077 0.90 DRD2 (0.39) NPY5RJAK2JAK1DRD2PLK1
SCHEMBL30265918 0.90 DRD2 (0.39) NPY5RJAK2JAK1DRD2PLK1
SCHEMBL19980668 0.90 DRD2 (0.39) NPY5RJAK2JAK1DRD2PLK1
SCHEMBL30265747 0.89 DRD3 (0.39) NPY5RDRD2
SCHEMBL19980545 0.89 DRD3 (0.39) NPY5RDRD2
SCHEMBL19980626 0.88 KDM4C (0.31) KDM4C
SCHEMBL19972637 0.88 MEN1 (0.38) NPY5RKDM4C

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-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-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-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 (3 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 NPY5R 4778/4885KDM1A 129/4885GPR119 3311/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 NPY5R 4778/4885KDM1A 129/4885GPR119 3311/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 NPY5R 4778/4885KDM1A 129/4885GPR119 3311/4885

“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.