SCHEMBL19972539

SCHEMBL19972539

CC(=O)Nc1cc(F)ccc1-n1cc(C2CCCN(C(=O)OC(C)(C)C)C2)c2ccncc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.44
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
NTRK1 P04629 3/20 0.38
TRPV3 Q8NET8 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
HPGDS O60760 1/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
BRD3 Q15059 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 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
SCHEMBL31001686 1.00 SCN9A (0.44) SCN9ACYP2C9SMN1; SMN2JAK2JAK1
SCHEMBL19972454 0.94 SCN9A (0.43) SCN9ACYP2C9SMN1; SMN2JAK2JAK1
SCHEMBL31001675 0.94 SCN9A (0.43) SCN9ACYP2C9SMN1; SMN2JAK2JAK1
SCHEMBL23515808 0.90 SCN9A (0.43) SCN9ACYP2C9SMN1; SMN2JAK2JAK1
SCHEMBL31001694 0.88 SCN9A (0.44) SCN9ACYP2C9SMN1; SMN2JAK2JAK1
SCHEMBL19972564 0.88 SCN9A (0.44) SCN9ACYP2C9SMN1; SMN2JAK2JAK1
SCHEMBL31001710 0.86 SCN9A (0.43) SCN9ACYP2C9SMN1; SMN2JAK2JAK1
SCHEMBL19972549 0.86 SCN9A (0.43) SCN9ACYP2C9SMN1; SMN2JAK2JAK1
SCHEMBL31001664 0.84 SCN9A (0.43) SCN9ACYP2C9SMN1; SMN2JAK2JAK1
SCHEMBL19972509 0.84 SCN9A (0.43) SCN9ACYP2C9SMN1; SMN2JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SCN9A 3941/4885CYP2C9 4667/4885SMN1; SMN2 1680/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 SCN9A 3941/4885CYP2C9 4667/4885SMN1; SMN2 1680/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 SCN9A 3941/4885CYP2C9 4667/4885SMN1; SMN2 1680/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 SCN9A 3941/4885CYP2C9 4667/4885SMN1; SMN2 1680/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 SCN9A 3941/4885CYP2C9 4667/4885SMN1; SMN2 1680/4885

“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.