SCHEMBL16620378

SCHEMBL16620378

O=[N+]([O-])c1cc2c(cnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR6 P50406 2/20 0.46
SIRT6 Q8N6T7 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL28829273 0.78 LMNA (0.38) MAPTALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL28068016 0.78 HSP90AA1 (0.35) MAPTALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL16619910 0.78 CYP19A1 (0.34) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL28067984 0.78 PIN1 (0.34) MAPTLMNAHTTSMN1; SMN2
SCHEMBL18024520 0.77 ALDH1A1 (0.35) MAPTALDH1A1CYP3A4LMNAHTT
SCHEMBL16619703 0.76 PIN1 (0.36) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL16619914 0.76 CYP1A2 (0.42) ALDH1A1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL16620366 0.76 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL16619583 0.76 PIN1 (0.32) LMNAHTTSMN1; SMN2
SCHEMBL20475238 0.75 LMNA (0.35) MAPTALDH1A1L3MBTL1HTR6MEN1

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
EP-3052096-A1 INHIBITORS OF ERK AND METHODS OF USE Kura Oncology, Inc. (US) 2016-08-10 EP disclosed
CN-105636586-A ERK inhibitors and methods of use ARAXES PHARMA LLC 2016-06-01 CN 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 MAPT 2530/4885ALDH1A1 2763/4885TDP1 2320/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPT 2530/4885ALDH1A1 2763/4885TDP1 2320/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPT 2530/4885ALDH1A1 2763/4885TDP1 2320/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPT 2530/4885ALDH1A1 2763/4885TDP1 2320/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPT 2530/4885ALDH1A1 2763/4885TDP1 2320/4885

“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.