SCHEMBL16620066

SCHEMBL16620066

O=c1[nH]c2cc3c(cnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.45
TLR7 Q9NYK1 4/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
USP1 O94782 1/20 0.38
KDM4A O75164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRIN1 Q05586 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
SCHEMBL16620462 0.80 PGR (0.47) PGRTLR7HTTLMNAHPGD
SCHEMBL16620990 0.76 LYN (0.31)
SCHEMBL16619901 0.75 PGR (0.50) PGRTLR7HTTLMNAHPGD
SCHEMBL23997304 0.70 PGR (0.56) PGRTLR7HTTLMNAHPGD
SCHEMBL30456380 0.70 PGR (0.56) PGRTLR7HTTLMNAHPGD
SCHEMBL2762074 0.68 LMNA (0.81) PGRHTTLMNAHPGDALDH1A1
SCHEMBL20401326 0.67 ACSS2 (0.39) HTTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL12074315 0.67 HDAC8 (0.36) TSHR
SCHEMBL14895766 0.66 CCR9 (0.36) HTTLMNASMN1; SMN2BRD4ADORA3
SCHEMBL7567421 0.66 PGR (0.61) PGRTLR7HTTLMNAHPGD

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 1102/4885TLR7 3414/4885HTT 4568/4885
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PGR 1102/4885TLR7 3414/4885HTT 4568/4885
US-20180237444-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PGR 1102/4885TLR7 3414/4885HTT 4568/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PGR 1102/4885TLR7 3414/4885HTT 4568/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 PGR 1102/4885TLR7 3414/4885HTT 4568/4885

“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.