SCHEMBL17857495

SCHEMBL17857495

C[C@@H](c1ccccc1)N(Cc1ccccc1)[C@H](CC(=O)OC(C)(C)C)c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.36
AKT1 P31749 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
APP P05067 1/20 0.35
LMNA P02545 1/20 0.35
USP2 O75604 1/20 0.34
RIPK1 Q13546 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
HTT P42858 1/20 0.33
PTGES O14684 1/20 0.33
BACE1 P56817 2/20 0.33

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
SCHEMBL6092925 0.89 MEN1 (0.42) MEN1KMT2ARIPK1TRPM8PTGES
SCHEMBL6092928 0.89 MEN1 (0.42) MEN1KMT2ARIPK1TRPM8PTGES
SCHEMBL6374201 0.89 MEN1 (0.42) MEN1KMT2ARIPK1TRPM8PTGES
SCHEMBL5862048 0.89 MEN1 (0.42) MEN1KMT2ARIPK1TRPM8PTGES
SCHEMBL15630751 0.88 AKT1 (0.41) AKT1MEN1KMT2AUSP2RIPK1
SCHEMBL17841368 0.86 PDPK1 (0.40) PDPK1NPSR1ALDH1A1KDM4EMEN1
SCHEMBL29219622 0.85 AKT1 (0.37) AKT1ALDH1A1GAAMAPTUSP2
SCHEMBL30541442 0.85 AKT1 (0.37) AKT1ALDH1A1GAAMAPTUSP2
SCHEMBL29219624 0.85 AKT1 (0.37) AKT1ALDH1A1GAAMAPTUSP2
SCHEMBL29219956 0.84 KMT2A (0.39) AKT1NPSR1MEN1KMT2AUSP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 US disclosed
US-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 US disclosed
US-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-06-23 US disclosed
US-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-06-23 US 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 (1 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-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS TNNI3, NME4, TNNT2 PDPK1 1311/4885AKT1 3460/4885NPSR1 4606/4885

“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.