SCHEMBL16619720

SCHEMBL16619720

O=[N+]([O-])c1cc2c(cc1CNCc1cccc(Cl)c1)c(Br)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.37
ATG4B Q9Y4P1 1/20 0.36
RECQL P46063 1/20 0.35
HDAC1 Q13547 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
EGFR P00533 2/20 0.33
IGF1R P08069 2/20 0.33
DNM1 Q05193 1/20 0.33
PRKCQ Q04759 1/20 0.33
IDO1 P14902 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL16619986 0.86 ALDH1A1 (0.40) CTSBKMT2A
SCHEMBL16619977 0.81 CTSB (0.34) CTSB
SCHEMBL29584493 0.81 CYP19A1 (0.32) CTSBKMT2A
SCHEMBL16620569 0.81 CYP19A1 (0.32) CTSBKMT2A
SCHEMBL16620027 0.80 CTSB (0.33) CTSBKMT2A
SCHEMBL16619785 0.78 TXNRD1 (0.32)
SCHEMBL20916820 0.78 CTSB (0.35) CTSBCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL30554375 0.78 CTSB (0.35) CTSBCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL16619786 0.77 MAPT (0.35) CYP1A2CYP3A4HPGDCYP2C19KMT2A
SCHEMBL1201016 0.77 PIN1 (0.32) CTSB

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 CTSB 2179/4885ATG4B 2098/4885RECQL 3078/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 CTSB 2179/4885ATG4B 2098/4885RECQL 3078/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 CTSB 2179/4885ATG4B 2098/4885RECQL 3078/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 CTSB 2179/4885ATG4B 2098/4885RECQL 3078/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 CTSB 2179/4885ATG4B 2098/4885RECQL 3078/4885

“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.