SCHEMBL16620202

SCHEMBL16620202

O=C(Cc1cc2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-])NCc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMO Q99835 2/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL16620366 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL16619914 0.83 CYP1A2 (0.42) ALDH1A1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL20475238 0.79 LMNA (0.35) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL16619703 0.77 PIN1 (0.36) ALDH1A1KMT2AMEN1GAA
SCHEMBL28067984 0.77 PIN1 (0.34) SMN1; SMN2LMNAMAPTHTT
SCHEMBL16620378 0.75 MAPT (0.46) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL16619910 0.71 CYP19A1 (0.34) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL28829273 0.71 LMNA (0.38) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL28068016 0.71 HSP90AA1 (0.35) ALDH1A1RAB9ASMN1; SMN2LMNANPC1
SCHEMBL16619670 0.70 MPO (0.41) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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 ALDH1A1 2763/4885RAB9A 1790/4885SMN1; SMN2 4172/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885RAB9A 1790/4885SMN1; SMN2 4172/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885RAB9A 1790/4885SMN1; SMN2 4172/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885RAB9A 1790/4885SMN1; SMN2 4172/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885RAB9A 1790/4885SMN1; SMN2 4172/4885

“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.