SCHEMBL16619673

SCHEMBL16619673

CC(C)(C)OC(=O)n1nc(I)c2cc3c(cc21)[nH]c(=O)n3Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.40
PARP2 Q9UGN5 4/20 0.40
PGR P06401 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
EPHX2 P34913 2/20 0.38
PPARG P37231 2/20 0.38
BRD4 O60885 1/20 0.38
HTR6 P50406 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 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
SCHEMBL3932624 0.73 MAOB (0.44) PARP2MEN1KMT2A
SCHEMBL29626660 0.72 MAP2K4 (0.44) KDM4EALDH1A1BRD4
SCHEMBL155708 0.72 MAP2K4 (0.44) KDM4EALDH1A1BRD4
SCHEMBL29854924 0.72 MAPT (0.43) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL20488622 0.72 MAPT (0.43) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL14739081 0.71 HTR6 (0.46) KDM4EALDH1A1HPGDHTR6MAPT
SCHEMBL177566 0.71 ESR2 (0.40) KDM4EALDH1A1HTR6
SCHEMBL16620133 0.71 MAPK1 (0.50) PGRKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL24738080 0.70 GABRG2 (0.45) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL31026057 0.70 ROCK2 (0.41) ALDH1A1BRD4LMNAMEN1KMT2A

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-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2019-09-26 US disclosed
US-10301317-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2019-05-28 US disclosed
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2018-08-23 US disclosed
EP-3363800-A1 HETEROCYCLIC INHIBITORS OF ERK AND METHODS OF USE Kura Oncology, Inc. (US) 2018-08-22 EP disclosed
US-9951078-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2018-04-24 US disclosed
EP-3052096-B1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY INC (US) 2018-01-17 EP disclosed
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2017-08-10 US disclosed
US-9624228-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2017-04-18 US disclosed
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2016-08-18 US disclosed
EP-3052096-A1 INHIBITORS OF ERK AND METHODS OF USE Kura Oncology, Inc. (US) 2016-08-10 EP disclosed
WO-2015051341-A1 INHIBITORS OF ERK AND METHODS OF USE ARAXES PHARMA LLC (US) 2015-04-09 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-10301317-B2 Inhibitors of ERK and methods of use MAP3K1, MAP3K2, MAP3K6 PARP1 1793/4885PARP2 1515/4885PGR 1102/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PARP1 1793/4885PARP2 1515/4885PGR 1102/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PARP1 1793/4885PARP2 1515/4885PGR 1102/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PARP1 1793/4885PARP2 1515/4885PGR 1102/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PARP1 1793/4885PARP2 1515/4885PGR 1102/4885

“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.