SCHEMBL19972500

SCHEMBL19972500

CC(=O)OCCn1c(=O)[nH]c2cc(CN3CCCC(c4cn(-c5ccc(F)cc5C(=O)N(C)C(C)C)c5cnccc45)C3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.33
CDK9 P50750 6/20 0.33
HRH2 P25021 2/20 0.32
IDO1 P14902 2/20 0.32
TDO2 P48775 2/20 0.32
PDPK1 O15530 1/20 0.31
MAPK1 P28482 2/20 0.31
HRH1 P35367 2/20 0.30
DRD2 P14416 1/20 0.30
HTR2C P28335 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 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
SCHEMBL19972498 1.00 CCNT1 (0.33) CCNT1CDK9HRH2IDO1TDO2
SCHEMBL19972631 0.93 CDK9 (0.34) CCNT1CDK9HRH2IDO1TDO2
SCHEMBL30524135 0.93 CDK9 (0.34) CCNT1CDK9HRH2IDO1TDO2
SCHEMBL19972636 0.93 CDK9 (0.34) CCNT1CDK9HRH2IDO1TDO2
SCHEMBL31001705 0.93 CDK9 (0.34) CCNT1CDK9HRH2IDO1TDO2
SCHEMBL19972528 0.92 CCNT1 (0.31) CCNT1CDK9HRH2PDPK1
SCHEMBL19972530 0.92 CCNT1 (0.31) CCNT1CDK9HRH2PDPK1
SCHEMBL19972719 0.90 CDK9 (0.34) CCNT1CDK9HRH2HRH1DRD2
SCHEMBL30524063 0.90 CDK9 (0.34) CCNT1CDK9HRH2HRH1DRD2
SCHEMBL19972519 0.88 CDK9 (0.34) CCNT1CDK9HRH2IDO1TDO2

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-11739085-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2023-08-29 US claimed
EP-3512850-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2023-04-12 EP claimed
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2021-06-17 US claimed
US-10899758-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2021-01-26 US claimed
EP-3512850-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, Inc. (US) 2019-07-24 EP claimed
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. 2019-07-04 US claimed
WO-2018053267-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2018-03-22 WO claimed
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
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

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 CCNT1 1833/4885CDK9 515/4885HRH2 3895/4885
US-10899758-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 CCNT1 1833/4885CDK9 515/4885HRH2 3895/4885
US-20190202830-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CCNT1 1833/4885CDK9 515/4885HRH2 3895/4885
US-20240124447-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CCNT1 1833/4885CDK9 515/4885HRH2 3895/4885
US-20210179611-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 CCNT1 1833/4885CDK9 515/4885HRH2 3895/4885

“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.