SCHEMBL16619703

SCHEMBL16619703

O=[N+]([O-])c1cc2c(cnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1CCO

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.36
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MET P08581 1/20 0.31
GLS O94925 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
CYP19A1 P11511 1/20 0.30
SERPINE1 P05121 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL16619914 0.87 CYP1A2 (0.42) PIN1AGTR1AGTR2CYP1A2MAOA
SCHEMBL28067984 0.86 PIN1 (0.34) PIN1AGTR1AGTR2MAOAMAOB
SCHEMBL28829273 0.80 LMNA (0.38) PIN1CYP1A2ALDH1A1GAATSHR
SCHEMBL28068016 0.80 HSP90AA1 (0.35) PIN1CYP1A2METGLSALDH1A1
SCHEMBL16619910 0.80 CYP19A1 (0.34) PIN1GLSALDH1A1CYP19A1HSP90AA1
SCHEMBL16620366 0.80 ALDH1A1 (0.45) CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL18024520 0.78 ALDH1A1 (0.35) PIN1GLSALDH1A1HSP90AA1
SCHEMBL20475244 0.78 HSP90AA1 (0.32) PIN1CYP1A2ALDH1A1GAAHSP90AA1
SCHEMBL16619583 0.77 PIN1 (0.32) PIN1GLSHSP90AA1
SCHEMBL29447518 0.73 MAPT (0.42) GLSALDH1A1CYP19A1MEN1KMT2A

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 12 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
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 PIN1 1822/4885AGTR1 1025/4885AGTR2 1208/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PIN1 1822/4885AGTR1 1025/4885AGTR2 1208/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PIN1 1822/4885AGTR1 1025/4885AGTR2 1208/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PIN1 1822/4885AGTR1 1025/4885AGTR2 1208/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PIN1 1822/4885AGTR1 1025/4885AGTR2 1208/4885

“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.