SCHEMBL19972583

SCHEMBL19972583

CC(C)N(C)C(=O)c1cc(F)ccc1-n1nc(C2CCCN(Cc3ccc4c(c3)[nH]c(=O)n4CCO)C2)c2ccncc21

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 9/20 0.34
CCNT1 O60563 8/20 0.34
IDO1 P14902 2/20 0.32
TDO2 P48775 2/20 0.32
CYP2D6 P10635 2/20 0.31
HRH1 P35367 2/20 0.31
KCNH2 Q12809 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL31001662 1.00 CDK9 (0.34) CDK9CCNT1IDO1TDO2CYP2D6
SCHEMBL31001705 0.88 CDK9 (0.34) CDK9CCNT1IDO1TDO2CYP2D6
SCHEMBL19972636 0.88 CDK9 (0.34) CDK9CCNT1IDO1TDO2CYP2D6
SCHEMBL19972631 0.88 CDK9 (0.34) CDK9CCNT1IDO1TDO2CYP2D6
SCHEMBL30524135 0.88 CDK9 (0.34) CDK9CCNT1IDO1TDO2CYP2D6
SCHEMBL19972719 0.85 CDK9 (0.34) CDK9CCNT1HRH1
SCHEMBL30524063 0.85 CDK9 (0.34) CDK9CCNT1HRH1
SCHEMBL31001198 0.83 CDK9 (0.34) CDK9CCNT1IDO1TDO2CYP2D6
SCHEMBL19972519 0.83 CDK9 (0.34) CDK9CCNT1IDO1TDO2CYP2D6
SCHEMBL19972500 0.82 CCNT1 (0.33) CDK9CCNT1IDO1TDO2CYP2D6

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
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
EP-3512850-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, Inc. (US) 2019-07-24 EP 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 (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 CDK9 515/4885CCNT1 1833/4885IDO1 3582/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CDK9 515/4885CCNT1 1833/4885IDO1 3582/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CDK9 515/4885CCNT1 1833/4885IDO1 3582/4885

“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.