SCHEMBL19972623

SCHEMBL19972623

CC(C)(C)OC(=O)N1CCCC(n2c(=S)[nH]c3cnccc32)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
HPGDS O60760 2/20 0.42
HCAR1 Q9BXC0 1/20 0.42
BTK Q06187 2/20 0.41
GPR119 Q8TDV5 6/20 0.41
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
PARP1 P09874 1/20 0.39
FPR2 P25090 1/20 0.39
CHEK2 O96017 1/20 0.38
FEN1 P39748 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL18764531 0.89 CYP2C9 (0.48) CYP2C9HPGDSHCAR1BTKGPR119
SCHEMBL31437335 0.89 CYP2C9 (0.48) CYP2C9HPGDSHCAR1BTKGPR119
SCHEMBL20450661 0.89 CYP2C9 (0.48) CYP2C9HPGDSHCAR1BTKGPR119
SCHEMBL20450694 0.83 CCR5 (0.46) CYP2C9BTKGPR119
SCHEMBL20450695 0.83 CCR5 (0.46) CYP2C9BTKGPR119
SCHEMBL16657355 0.79 CCR5 (0.43) CYP2C9GPR119NAMPT
SCHEMBL16895826 0.78 CYP2C9 (0.44) CYP2C9HPGDSHCAR1BTKGPR119
SCHEMBL2247700 0.77 CCR5 (0.51) GPR119
SCHEMBL16895807 0.76 CYP2C9 (0.44) CYP2C9HPGDSHCAR1BTKGPR119
SCHEMBL19972546 0.76 BTK (0.46) CYP2C9HPGDSHCAR1BTKGPR119

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 12 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
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
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
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 CYP2C9 4667/4885HPGDS 3435/4885HCAR1 3668/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 CYP2C9 4667/4885HPGDS 3435/4885HCAR1 3668/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP2C9 4667/4885HPGDS 3435/4885HCAR1 3668/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP2C9 4667/4885HPGDS 3435/4885HCAR1 3668/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CYP2C9 4667/4885HPGDS 3435/4885HCAR1 3668/4885

“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.