SCHEMBL13655569

SCHEMBL13655569

CC(C)(C)C(C)(C)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNN4 O15554 3/20 0.39
HSD11B1 P28845 1/20 0.38
USP2 O75604 1/20 0.38
CYP17A1 P05093 1/20 0.36
IDO1 P14902 1/20 0.36
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
PDE2A O00408 1/20 0.35

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
SCHEMBL29161009 0.85 TSHR (0.40) MEN1MAPK1KMT2APDE2AALDH1A1
Water SCHEMBL9183302 0.82 TSHR (0.38) MEN1KMT2APDE2AALDH1A1CYP3A4
Hydrogen Peroxide SCHEMBL25220009 0.79 ESR1 (0.41) SMN1; SMN2MEN1MAPTMAPK1KMT2A
SCHEMBL25039132 0.79 KCNN4 (0.50) ACHERAB9ASMN1; SMN2MEN1NPC1
SCHEMBL22355846 0.78 ACHE (0.41) ACHERAB9ASMN1; SMN2MEN1NPC1
SCHEMBL26430113 0.78 ACHE (0.41) ACHERAB9ASMN1; SMN2MEN1NPC1
SCHEMBL4348723 0.77 ESR1 (0.52) ACHERAB9ASMN1; SMN2MEN1NPC1
SCHEMBL3947712 0.77 ESR1 (0.52) ACHERAB9ASMN1; SMN2MEN1NPC1
SCHEMBL30374558 0.77 TSHR (0.55) ACHERAB9ANPC1MAPTMAPK1
SCHEMBL70544 0.77 SMN1; SMN2 (0.59) ACHERAB9ASMN1; SMN2MEN1NPC1

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-9951078-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2018-04-24 US disclosed
US-9951078-B2 Inhibitors of ERK and methods of use KURA ONCOLOGY, INC. (US) 2018-04-24 US disclosed
US-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2017-08-10 US 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-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
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2016-08-18 US disclosed
US-20090252678-A1 COX-2-TARGETED IMAGING AGENTS VANDERBILT UNIVERSITY (US) 2009-10-08 US disclosed
US-20090252678-A1 COX-2-TARGETED IMAGING AGENTS VANDERBILT UNIVERSITY (US) 2009-10-08 US 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 (4 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-20170226110-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ACHE 4244/4885RAB9A 1790/4885SMN1; SMN2 4172/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ACHE 4244/4885RAB9A 1790/4885SMN1; SMN2 4172/4885
US-20160237091-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ACHE 4244/4885RAB9A 1790/4885SMN1; SMN2 4172/4885
US-20090252678-A1 COX-2-TARGETED IMAGING AGENTS PTGS2, PTGES2, PTGER2 ACHE 388/4885RAB9A 4594/4885SMN1; SMN2 1325/4885

“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.