SCHEMBL16620462

SCHEMBL16620462

O=c1[nH]c2cc3c(ccn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.47
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.42
TLR7 Q9NYK1 4/20 0.42
CYP3A4 P08684 1/20 0.41
EPHX2 P34913 1/20 0.40
PPARG P37231 1/20 0.40
GAA P10253 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HTR6 P50406 1/20 0.39
CCR2 P41597 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL16620066 0.80 PGR (0.45) PGRHTTLMNAALDH1A1HPGD
SCHEMBL16619901 0.73 PGR (0.50) PGRHTTLMNAALDH1A1HPGD
SCHEMBL23997304 0.73 PGR (0.56) PGRHTTLMNAALDH1A1HPGD
SCHEMBL30456380 0.73 PGR (0.56) PGRHTTLMNAALDH1A1HPGD
SCHEMBL2762074 0.70 LMNA (0.81) PGRHTTLMNAALDH1A1HPGD
SCHEMBL7567421 0.69 PGR (0.61) PGRHTTLMNAALDH1A1HPGD
SCHEMBL6540522 0.69 PGR (0.61) PGRHTTLMNAALDH1A1HPGD
SCHEMBL24728542 0.69 PGR (0.61) PGRHTTLMNAALDH1A1HPGD
Acetic Acid SCHEMBL11273091 0.69 LMNA (0.60) PGRHTTLMNAALDH1A1HPGD
SCHEMBL25718657 0.69 PGR (0.51) PGRHTTLMNAALDH1A1HPGD

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 PGR 1102/4885HTT 4568/4885LMNA 3164/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PGR 1102/4885HTT 4568/4885LMNA 3164/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PGR 1102/4885HTT 4568/4885LMNA 3164/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PGR 1102/4885HTT 4568/4885LMNA 3164/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PGR 1102/4885HTT 4568/4885LMNA 3164/4885

“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.