SCHEMBL19972584

SCHEMBL19972584

CC(C)(C)OC(=O)N1CCCC(n2c(=S)n(-c3ccc(F)cc3C(=O)O)c3cnccc32)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 1/20 0.39
BLK P51451 4/20 0.39
BTK Q06187 4/20 0.38
POLB P06746 1/20 0.38
LYN P07948 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
LMNA P02545 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
EGFR P00533 1/20 0.36
HPGDS O60760 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
SCHEMBL30524054 0.90 GPR119 (0.38) SMN1; SMN2CYP2C9BLKBTKPOLB
SCHEMBL19972615 0.90 GPR119 (0.38) SMN1; SMN2CYP2C9BLKBTKPOLB
SCHEMBL19972714 0.83 SMN1; SMN2 (0.51) SMN1; SMN2BLKBTKPOLBLYN
SCHEMBL19972619 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C9BTKPOLBGPR119
SCHEMBL19972616 0.77 SMN1; SMN2 (0.49) SMN1; SMN2CYP2C9POLBLMNAHPGDS
SCHEMBL19972487 0.73 GPR119 (0.43) SMN1; SMN2BLKBTKPOLBLYN
SCHEMBL31068918 0.73 SMN1; SMN2 (0.47) SMN1; SMN2POLBGPR119LMNA
SCHEMBL19972603 0.73 CCNT1 (0.41) CYP2C9BTKGPR119GPBAR1CCNT1
SCHEMBL19972623 0.73 CYP2C9 (0.47) CYP2C9BTKGPR119HPGDS
SCHEMBL31437322 0.73 BTK (0.67) BLKBTKLYNEGFR

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 13 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
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

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 SMN1; SMN2 1680/4885CYP2C9 4667/4885BLK 2254/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 SMN1; SMN2 1680/4885CYP2C9 4667/4885BLK 2254/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 SMN1; SMN2 1680/4885CYP2C9 4667/4885BLK 2254/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 SMN1; SMN2 1680/4885CYP2C9 4667/4885BLK 2254/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 SMN1; SMN2 1680/4885CYP2C9 4667/4885BLK 2254/4885

“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.