SCHEMBL19972563

SCHEMBL19972563

CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCN(Cc3ccc(NC(=O)O)cc3)CC2)c2ccncc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HRH2 P25021 4/20 0.38
DRD2 P14416 1/20 0.36
ADRA1A P35348 1/20 0.36
MCHR1 Q99705 2/20 0.36
ROCK2 O75116 1/20 0.36
CCR5 P51681 1/20 0.36
KCNH2 Q12809 1/20 0.35
CTNNB1 P35222 2/20 0.35
TCF7L2 Q9NQB0 2/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL19972474 0.94 CCNT1 (0.44) CCNT1CDK9HRH2MCHR1ROCK2
SCHEMBL30524118 0.93 HRH2 (0.39) HRH2DRD2MCHR1ROCK2ACHE
SCHEMBL19972581 0.93 HRH2 (0.39) HRH2DRD2MCHR1ROCK2ACHE
SCHEMBL21141087 0.92 HRH2 (0.40) HRH2MCHR1
SCHEMBL30524120 0.92 ROCK2 (0.37) CCNT1CDK9HRH2MCHR1ROCK2
SCHEMBL19972587 0.92 ROCK2 (0.37) CCNT1CDK9HRH2MCHR1ROCK2
SCHEMBL19972469 0.92 HRH2 (0.42) HRH2ACHE
SCHEMBL19980710 0.91 HRH2 (0.36) CCNT1CDK9HRH2DRD2ADRA1A
SCHEMBL30265816 0.91 CCNT1 (0.37) CCNT1CDK9HRH2DRD2ADRA1A
SCHEMBL19980706 0.91 CCNT1 (0.37) CCNT1CDK9HRH2DRD2ADRA1A

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 9 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
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.