SCHEMBL16620133

SCHEMBL16620133

O=c1[nH]c2cc3[nH]nc(I)c3cc2n1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
PGR P06401 3/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
BRD4 O60885 1/20 0.45
TLR7 Q9NYK1 4/20 0.42
CYP3A4 P08684 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PLK1 P53350 1/20 0.39
PSMD14 O00487 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CYP1A2 P05177 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
SCHEMBL16619913 0.78 MAPK1 (0.81) MAPK1
SCHEMBL16619901 0.75 PGR (0.50) MAPK1PGRKDM4EALDH1A1HPGD
SCHEMBL30456380 0.73 PGR (0.56) PGRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL23997304 0.73 PGR (0.56) PGRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16619673 0.71 PARP1 (0.40) PGRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2762074 0.70 LMNA (0.81) MAPK1PGRKDM4EALDH1A1HPGD
SCHEMBL7567421 0.69 PGR (0.61) PGRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6540522 0.69 PGR (0.61) PGRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24728542 0.69 PGR (0.61) PGRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL25718657 0.69 PGR (0.51) PGRKDM4EALDH1A1HPGDSMN1; SMN2

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 MAPK1 12/4885PGR 1102/4885KDM4E 2463/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885PGR 1102/4885KDM4E 2463/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885PGR 1102/4885KDM4E 2463/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885PGR 1102/4885KDM4E 2463/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 MAPK1 12/4885PGR 1102/4885KDM4E 2463/4885

“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.