SCHEMBL19972651

SCHEMBL19972651

CC(C)N(C)C(=O)c1cc(F)ccc1-n1c(=O)n(C2CCN(CC[C@H]3CC[C@H](N)CC3)CC2)c2ccncc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.36
KDM4C Q9H3R0 1/20 0.35
CYP2D6 P10635 2/20 0.34
LYN P07948 1/20 0.34
BLK P51451 1/20 0.34
HTR2A P28223 2/20 0.33
DRD3 P35462 1/20 0.33
HTR7 P34969 1/20 0.33
KCNH2 Q12809 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
SCHEMBL19972649 1.00 CYP3A4 (0.36) CYP3A4KDM4CCYP2D6LYNBLK
SCHEMBL26036573 0.93 KDM4C (0.36) CYP3A4KDM4CCYP2D6LYNBLK
SCHEMBL19972536 0.90 DRD3 (0.39) KDM4CHTR2ADRD3
SCHEMBL19972537 0.90 DRD3 (0.39) KDM4CHTR2ADRD3
SCHEMBL19972577 0.90 HTR2A (0.43) KDM4CHTR2ADRD3KCNH2
SCHEMBL19972579 0.90 HTR2A (0.43) KDM4CHTR2ADRD3KCNH2
SCHEMBL30266055 0.87 DRD2 (0.40) HTR2ADRD3
SCHEMBL30265953 0.87 DRD2 (0.40) HTR2ADRD3
SCHEMBL19980715 0.87 CYP3A4 (0.38) CYP3A4CYP2D6LYNBLKHTR2A
SCHEMBL19980720 0.87 CYP3A4 (0.34) CYP3A4KDM4CCYP2D6LYNBLK

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 11 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-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
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 (4 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 CYP3A4 4408/4885KDM4C 397/4885CYP2D6 4548/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP3A4 4408/4885KDM4C 397/4885CYP2D6 4548/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP3A4 4408/4885KDM4C 397/4885CYP2D6 4548/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP3A4 4408/4885KDM4C 397/4885CYP2D6 4548/4885

“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.